6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide

C24H21ClN6O2 — CID 118665130

IUPAC6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide
SMILESCc1cc(N)ncc1CNC(=O)c1ccnc(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H21ClN6O2/c1-13-4-21(26)29-10-17(13)11-31-24(33)15-2-3-28-19(9-15)6-14-5-16-8-18(25)12-30-22(16)20(7-14)23(27)32/h2-5,7-10,12H,6,11H2,1H3,(H2,26,29)(H2,27,32)(H,31,33)
InChIKeyZAZOBWBMBQVKFV-UHFFFAOYSA-N
MW460.93 g/mol
LogP3.19
Rot. Bonds6

About 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide

6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide (PubChem CID 118665130) has the molecular formula C24H21ClN6O2 and a molecular weight of 460.93 g/mol. Its IUPAC name is 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide.

Molecular Properties

Compound Name6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide
PubChem CID118665130
Molecular FormulaC24H21ClN6O2
Molecular Weight460.93 g/mol
Exact Mass460.14
IUPAC Name6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide
SMILESCc1cc(N)ncc1CNC(=O)c1ccnc(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H21ClN6O2/c1-13-4-21(26)29-10-17(13)11-31-24(33)15-2-3-28-19(9-15)6-14-5-16-8-18(25)12-30-22(16)20(7-14)23(27)32/h2-5,7-10,12H,6,11H2,1H3,(H2,26,29)(H2,27,32)(H,31,33)
InChIKeyZAZOBWBMBQVKFV-UHFFFAOYSA-N
XLogP3.19
TPSA136.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.93
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide with MolForge

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Related Compounds

N-(5-chloropyridin-2-yl)-5-methyl-2-[4-(N-methylethanimidamido)benzamido]benzamide
CID 53374963
VX-984
CID 72188357
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 11518307
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
CID 11612290
N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-methylbenzamide
CID 18728123
5-(3-chloroanilino)-N-(2-morpholin-4-ylethyl)benzo[c][2,6]naphthyridine-8-carboxamide
CID 57876932
N-(2-aminoethyl)-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide
CID 57877024
CK2 Inhibitor 2
CID 156621381
Methyl 3-[[5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carbonyl]amino]propanoate
CID 156861592
N-{2-[(3-Chlorophenyl)amino]-4-methylquinolin-6-YL}pyridine-3-carboxamide
CID 16021397
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-3-yl)quinoline-4-carboxamide
CID 17373844
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 17375211

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide?
The IUPAC name of 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide (CID 118665130) is 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide.
What is the SMILES notation for 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide?
The canonical SMILES for 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide is Cc1cc(N)ncc1CNC(=O)c1ccnc(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)c1.
What is the InChIKey of 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide?
The InChIKey is ZAZOBWBMBQVKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O2/c1-13-4-21(26)29-10-17(13)11-31-24(33)15-2-3-28-19(9-15)6-14-5-16-8-18(25)12-30-22(16)20(7-14)23(27)32/h2-5,7-10,12H,6,11H2,1H3,(H2,26,29)(H2,27,32)(H,31,33).
What are the key properties of 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide?
6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide has a molecular weight of 460.93 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(6-amino-4-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxamide is sourced from PubChem (CID 118665130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).