2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine

C75H92BCl3N14O7 — CID 159587082

IUPAC2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine
SMILESCOC(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cn1.COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.Clc1cc(Cl)c2cnccc2n1.NCCCN1CCCCC1.O=C(CCCCN1CCCCC1)c1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)cn1
InChIInChI=1S/C31H42N6O.C15H10ClN3O2.C13H18BNO4.C8H4Cl2N2.C8H18N2/c38-31(10-3-8-20-36-16-4-1-5-17-36)28-12-11-25(23-34-28)29-22-30(26-24-32-15-13-27(26)35-29)33-14-9-21-37-18-6-2-7-19-37;1-21-15(20)13-3-2-9(7-18-13)14-6-11(16)10-8-17-5-4-12(10)19-14;1-12(2)13(3,4)19-14(18-12)9-6-7-10(15-8-9)11(16)17-5;9-6-3-8(10)12-7-1-2-11-4-5(6)7;9-5-4-8-10-6-2-1-3-7-10/h11-13,15,22-24H,1-10,14,16-21H2,(H,33,35);2-8H,1H3;6-8H,1-5H3;1-4H;1-9H2
InChIKeyMJTIBIJGTXDOPM-UHFFFAOYSA-N
MW1418.82 g/mol
LogP13.88
Rot. Bonds19

About 2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine

2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine (PubChem CID 159587082) has the molecular formula C75H92BCl3N14O7 and a molecular weight of 1418.82 g/mol. Its IUPAC name is 2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine
PubChem CID159587082
Molecular FormulaC75H92BCl3N14O7
Molecular Weight1418.82 g/mol
Exact Mass1416.64
IUPAC Name2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine
SMILESCOC(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cn1.COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.Clc1cc(Cl)c2cnccc2n1.NCCCN1CCCCC1.O=C(CCCCN1CCCCC1)c1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)cn1
InChIInChI=1S/C31H42N6O.C15H10ClN3O2.C13H18BNO4.C8H4Cl2N2.C8H18N2/c38-31(10-3-8-20-36-16-4-1-5-17-36)28-12-11-25(23-34-28)29-22-30(26-24-32-15-13-27(26)35-29)33-14-9-21-37-18-6-2-7-19-37;1-21-15(20)13-3-2-9(7-18-13)14-6-11(16)10-8-17-5-4-12(10)19-14;1-12(2)13(3,4)19-14(18-12)9-6-7-10(15-8-9)11(16)17-5;9-6-3-8(10)12-7-1-2-11-4-5(6)7;9-5-4-8-10-6-2-1-3-7-10/h11-13,15,22-24H,1-10,14,16-21H2,(H,33,35);2-8H,1H3;6-8H,1-5H3;1-4H;1-9H2
InChIKeyMJTIBIJGTXDOPM-UHFFFAOYSA-N
XLogP13.88
TPSA251.91 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001418.82
LogP ≤ 513.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine with MolForge

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Related Compounds

1-(6-Chloro-5-propan-2-yl-2-pyridinyl)propan-1-one;1-[6-(difluoromethyl)-5-propan-2-yl-2-pyridinyl]propan-1-one;1-(6-ethyl-5-propan-2-yl-2-pyridinyl)propan-1-one;1-(6-fluoro-5-propan-2-yl-2-pyridinyl)propan-1-one;methyl 5-propan-2-ylpyridine-2-carboxylate;1-(6-methyl-5-propan-2-yl-2-pyridinyl)propan-1-one;1-(5-propan-2-yl-2-pyridinyl)butan-1-one;1-(5-propan-2-yl-2-pyridinyl)ethanone;1-(5-propan-2-yl-2-pyridinyl)propan-1-one;1-[5-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 168420266
Methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate
CID 135372999
1-[5-(4-Chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane
CID 157103186
tert-butyl 2-chloro-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;tert-butyl 2-chloro-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate;6-O-tert-butyl 2-O-methyl 5-oxo-7,8-dihydro-1,6-naphthyridine-2,6-dicarboxylate;methyl 5-oxo-7,8-dihydro-6H-1,6-naphthyridine-2-carboxylate
CID 158116419
Lithium;2,4-dichloro-1,6-naphthyridine;(4-methoxycarbonylphenyl)boronic acid;methyl 4-(4-chloro-1,6-naphthyridin-2-yl)benzoate;methyl 4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzoate;1-methylpiperidin-4-amine;2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone;oxan-4-amine;4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]benzoic acid;hydroxide
CID 158576874
7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate
CID 159274327
lithium;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;methyl 4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;hydroxide;hydrate
CID 160674357
Methyl 3-carbamoyl-4-(4-chloro-1,6-naphthyridin-2-yl)benzoate;methyl 3-carbamoyl-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;3-piperidin-1-ylpropan-1-amine
CID 160841901
4-(4-Chloro-1,6-naphthyridin-2-yl)benzoic acid;1-[4-(4-chloro-1,6-naphthyridin-2-yl)phenyl]-5-piperidin-1-ylpentan-1-one;oxan-4-amine;1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]-5-piperidin-1-ylpentan-1-one;3-piperidin-1-ylpropan-1-amine
CID 161828546
5-Amino-1-methylpyridin-2-one;1-(bromomethyl)-3-chlorobenzene;5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-1-methylpyridin-2-one;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
CID 167579967
Methyl 7-chloro-3-(4-methyl-6-propanoyl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate
CID 176036332
Methyl 3-chloro-5-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-3-yl]pyridine-2-carboxylate
CID 176136456

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine?
The IUPAC name of 2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine (CID 159587082) is 2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine is COC(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cn1.COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.Clc1cc(Cl)c2cnccc2n1.NCCCN1CCCCC1.O=C(CCCCN1CCCCC1)c1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)cn1.
What is the InChIKey of 2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine?
The InChIKey is MJTIBIJGTXDOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N6O.C15H10ClN3O2.C13H18BNO4.C8H4Cl2N2.C8H18N2/c38-31(10-3-8-20-36-16-4-1-5-17-36)28-12-11-25(23-34-28)29-22-30(26-24-32-15-13-27(26)35-29)33-14-9-21-37-18-6-2-7-19-37;1-21-15(20)13-3-2-9(7-18-13)14-6-11(16)10-8-17-5-4-12(10)19-14;1-12(2)13(3,4)19-14(18-12)9-6-7-10(15-8-9)11(16)17-5;9-6-3-8(10)12-7-1-2-11-4-5(6)7;9-5-4-8-10-6-2-1-3-7-10/h11-13,15,22-24H,1-10,14,16-21H2,(H,33,35);2-8H,1H3;6-8H,1-5H3;1-4H;1-9H2.
What are the key properties of 2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine?
2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine has a molecular weight of 1418.82 g/mol, XLogP of 13.88, 19 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1,6-naphthyridine;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-piperidin-1-yl-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]pentan-1-one;3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 159587082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).