N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide

C22H21Cl2N5O3 — CID 20816877

IUPACN-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide
SMILESCN(CC1CCC(=O)N1)c1nc(C(=O)NCc2cc(Cl)cc(Cl)c2)c(O)c2ncccc12
InChIInChI=1S/C22H21Cl2N5O3/c1-29(11-15-4-5-17(30)27-15)21-16-3-2-6-25-18(16)20(31)19(28-21)22(32)26-10-12-7-13(23)9-14(24)8-12/h2-3,6-9,15,31H,4-5,10-11H2,1H3,(H,26,32)(H,27,30)
InChIKeySFOKXGDQVZTMDE-UHFFFAOYSA-N
MW474.35 g/mol
LogP3.29
Rot. Bonds6

About N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide

N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide (PubChem CID 20816877) has the molecular formula C22H21Cl2N5O3 and a molecular weight of 474.35 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide
PubChem CID20816877
Molecular FormulaC22H21Cl2N5O3
Molecular Weight474.35 g/mol
Exact Mass473.10
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide
SMILESCN(CC1CCC(=O)N1)c1nc(C(=O)NCc2cc(Cl)cc(Cl)c2)c(O)c2ncccc12
InChIInChI=1S/C22H21Cl2N5O3/c1-29(11-15-4-5-17(30)27-15)21-16-3-2-6-25-18(16)20(31)19(28-21)22(32)26-10-12-7-13(23)9-14(24)8-12/h2-3,6-9,15,31H,4-5,10-11H2,1H3,(H,26,32)(H,27,30)
InChIKeySFOKXGDQVZTMDE-UHFFFAOYSA-N
XLogP3.29
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.35
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide
CID 10137646
N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide
CID 10299234
N-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 10185509
N-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide
CID 175235115
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(5-oxopyrrolidin-3-yl)-1,6-naphthyridine-7-carboxamide
CID 44579015
methyl 7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridine-5-carboxylate
CID 141443978
5-(1,5,2-dithiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 142135337
5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one
CID 115697510
ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 142807716
N-[(3,5-difluorophenyl)methyl]-8-hydroxy-5-methylsulfonyl-1,6-naphthyridine-7-carboxamide
CID 22346274
5-[2-(dimethylamino)-2-oxoethoxy]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346292
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-[1-methyl-2-(methylamino)-5-oxopyrrolidin-3-yl]-1,6-naphthyridine-7-carboxamide
CID 22346272

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide (CID 20816877) is N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide is CN(CC1CCC(=O)N1)c1nc(C(=O)NCc2cc(Cl)cc(Cl)c2)c(O)c2ncccc12.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide?
The InChIKey is SFOKXGDQVZTMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N5O3/c1-29(11-15-4-5-17(30)27-15)21-16-3-2-6-25-18(16)20(31)19(28-21)22(32)26-10-12-7-13(23)9-14(24)8-12/h2-3,6-9,15,31H,4-5,10-11H2,1H3,(H,26,32)(H,27,30).
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide?
N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide has a molecular weight of 474.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 20816877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).