N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide

C22H23Cl2N5O3 — CID 10299234

IUPACN-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1cc(Cl)cc(Cl)c1)c1nc(NCCN2CCOCC2)c2cccnc2c1O
InChIInChI=1S/C22H23Cl2N5O3/c23-15-10-14(11-16(24)12-15)13-27-22(31)19-20(30)18-17(2-1-3-25-18)21(28-19)26-4-5-29-6-8-32-9-7-29/h1-3,10-12,30H,4-9,13H2,(H,26,28)(H,27,31)
InChIKeySTSVRYZVQIELNC-UHFFFAOYSA-N
MW476.36 g/mol
LogP3.32
Rot. Bonds7

About N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide

N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide (PubChem CID 10299234) has the molecular formula C22H23Cl2N5O3 and a molecular weight of 476.36 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide
PubChem CID10299234
Molecular FormulaC22H23Cl2N5O3
Molecular Weight476.36 g/mol
Exact Mass475.12
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1cc(Cl)cc(Cl)c1)c1nc(NCCN2CCOCC2)c2cccnc2c1O
InChIInChI=1S/C22H23Cl2N5O3/c23-15-10-14(11-16(24)12-15)13-27-22(31)19-20(30)18-17(2-1-3-25-18)21(28-19)26-4-5-29-6-8-32-9-7-29/h1-3,10-12,30H,4-9,13H2,(H,26,28)(H,27,31)
InChIKeySTSVRYZVQIELNC-UHFFFAOYSA-N
XLogP3.32
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.36
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-5-[4-(2-formamidoethyl)piperazin-1-yl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 10185509
3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241
N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301415
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109168044
5-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109185798
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
N-[(3,5-dichlorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 54920179
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301427
N-[(4-fluorophenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168036
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
N-(2-morpholin-4-ylethyl)-1,6-naphthyridine-8-carboxamide
CID 91949050
2-N-(2-morpholin-4-ylethyl)pyridine-2,3-diamine
CID 14417721

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide (CID 10299234) is N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide is O=C(NCc1cc(Cl)cc(Cl)c1)c1nc(NCCN2CCOCC2)c2cccnc2c1O.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide?
The InChIKey is STSVRYZVQIELNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O3/c23-15-10-14(11-16(24)12-15)13-27-22(31)19-20(30)18-17(2-1-3-25-18)21(28-19)26-4-5-29-6-8-32-9-7-29/h1-3,10-12,30H,4-9,13H2,(H,26,28)(H,27,31).
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide?
N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide has a molecular weight of 476.36 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-morpholin-4-ylethylamino)-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 10299234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).