2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide

C24H22ClN5O2 — CID 118665244

IUPAC2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide
SMILES[H]/N=c1\cc(C)c(CNC(=O)c2ccnc(Cc3ccc4ncc(Cl)cc4c3)c2)c(C)n1O
InChIInChI=1S/C24H22ClN5O2/c1-14-7-23(26)30(32)15(2)21(14)13-29-24(31)17-5-6-27-20(11-17)9-16-3-4-22-18(8-16)10-19(25)12-28-22/h3-8,10-12,26,32H,9,13H2,1-2H3,(H,29,31)/b26-23+
InChIKeyJKIOCRVVMAFUOT-WNAAXNPUSA-N
MW447.93 g/mol
LogP3.94
Rot. Bonds5

About 2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide

2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 118665244) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is 2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID118665244
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC Name2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide
SMILES[H]/N=c1\cc(C)c(CNC(=O)c2ccnc(Cc3ccc4ncc(Cl)cc4c3)c2)c(C)n1O
InChIInChI=1S/C24H22ClN5O2/c1-14-7-23(26)30(32)15(2)21(14)13-29-24(31)17-5-6-27-20(11-17)9-16-3-4-22-18(8-16)10-19(25)12-28-22/h3-8,10-12,26,32H,9,13H2,1-2H3,(H,29,31)/b26-23+
InChIKeyJKIOCRVVMAFUOT-WNAAXNPUSA-N
XLogP3.94
TPSA103.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(3-chloroquinolin-6-yl)methyl]-4-pyridinyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]ethenamine
CID 118668728
N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665343
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665434
N-[(3-amino-1-methylimidazo[1,5-a]pyridin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665326
N-[(3-aminoimidazo[1,5-c]pyrimidin-7-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665307
N-[(6-amino-5-chloro-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride
CID 159580689
2-[(3-chloroquinolin-6-yl)methyl]-N-(3-ethyliminopropyl)pyridine-4-carboxamide
CID 145002112
2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide
CID 154505213
5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane
CID 159581838
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide
CID 118665190
N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118213222
N-[[4-amino-3-(difluoromethoxy)-2-fluorophenyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;ethane
CID 177191376

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide (CID 118665244) is 2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide is [H]/N=c1\cc(C)c(CNC(=O)c2ccnc(Cc3ccc4ncc(Cl)cc4c3)c2)c(C)n1O.
What is the InChIKey of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is JKIOCRVVMAFUOT-WNAAXNPUSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c1-14-7-23(26)30(32)15(2)21(14)13-29-24(31)17-5-6-27-20(11-17)9-16-3-4-22-18(8-16)10-19(25)12-28-22/h3-8,10-12,26,32H,9,13H2,1-2H3,(H,29,31)/b26-23+.
What are the key properties of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide?
2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 447.93 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloroquinolin-6-yl)methyl]-N-[(1-hydroxy-6-imino-2,4-dimethyl-3-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).