6-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-5-yl)cyclohexa-1,5-diene-1-carboxamide

C20H19N5O2 — CID 170319741

IUPAC6-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-5-yl)cyclohexa-1,5-diene-1-carboxamide
SMILESCOC1=CCCC=C1C(=O)Nc1ccc2nc(-c3cccnc3)n(C)c2n1
InChIInChI=1S/C20H19N5O2/c1-25-18(13-6-5-11-21-12-13)22-15-9-10-17(23-19(15)25)24-20(26)14-7-3-4-8-16(14)27-2/h5-12H,3-4H2,1-2H3,(H,23,24,26)
InChIKeyOBDGHKWDHCAENS-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.22
Rot. Bonds4

About 6-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-5-yl)cyclohexa-1,5-diene-1-carboxamide

6-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-5-yl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 170319741) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-5-yl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-5-yl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID170319741
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name6-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-5-yl)cyclohexa-1,5-diene-1-carboxamide
SMILESCOC1=CCCC=C1C(=O)Nc1ccc2nc(-c3cccnc3)n(C)c2n1
InChIInChI=1S/C20H19N5O2/c1-25-18(13-6-5-11-21-12-13)22-15-9-10-17(23-19(15)25)24-20(26)14-7-3-4-8-16(14)27-2/h5-12H,3-4H2,1-2H3,(H,23,24,26)
InChIKeyOBDGHKWDHCAENS-UHFFFAOYSA-N
XLogP3.22
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-6-yl)benzamide
CID 169245066
2-methoxy-N-(3-methyl-2-pyridin-3-ylbenzimidazol-5-yl)benzamide
CID 169245110
2-methoxy-N-(1-methyl-2-pyridin-3-ylbenzimidazol-5-yl)benzamide
CID 169245109
N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide
CID 66692352
tert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate
CID 25210616
7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide
CID 42451517
3-chloro-4-hydroxy-N-(3-methyl-4-oxo-2-pyridin-3-ylquinazolin-5-yl)benzamide
CID 162685831
4-methyl-2-pyridin-3-yl-N-quinolin-2-yl-1,3-thiazole-5-carboxamide
CID 71111596
ethane;6-methyl-N-(6-pyridin-3-yl-2-pyridinyl)pyridine-2-carboxamide
CID 143094222
5-amino-3-methyl-2-pyridin-3-ylquinazolin-4-one
CID 162685751
N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-carboxamide
CID 122184262
methyl 3-pyridin-3-ylpyridine-4-carboxylate
CID 46317485

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-5-yl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 6-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-5-yl)cyclohexa-1,5-diene-1-carboxamide (CID 170319741) is 6-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-5-yl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 6-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-5-yl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 6-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-5-yl)cyclohexa-1,5-diene-1-carboxamide is COC1=CCCC=C1C(=O)Nc1ccc2nc(-c3cccnc3)n(C)c2n1.
What is the InChIKey of 6-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-5-yl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is OBDGHKWDHCAENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25-18(13-6-5-11-21-12-13)22-15-9-10-17(23-19(15)25)24-20(26)14-7-3-4-8-16(14)27-2/h5-12H,3-4H2,1-2H3,(H,23,24,26).
What are the key properties of 6-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-5-yl)cyclohexa-1,5-diene-1-carboxamide?
6-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-5-yl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-5-yl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 170319741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).