N-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide

C27H24N6O — CID 58344978

IUPACN-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
SMILESCc1cc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4ccccc4)cc3)c2nc1C
InChIInChI=1S/C27H24N6O/c1-17-15-23-26(31-18(17)2)33(25(32-23)22-9-6-14-29-24(22)28)21-12-10-19(11-13-21)16-30-27(34)20-7-4-3-5-8-20/h3-15H,16H2,1-2H3,(H2,28,29)(H,30,34)
InChIKeyBRWLMCLUTAYQTD-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.61
Rot. Bonds5

About N-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide

N-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide (PubChem CID 58344978) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
PubChem CID58344978
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC NameN-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
SMILESCc1cc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4ccccc4)cc3)c2nc1C
InChIInChI=1S/C27H24N6O/c1-17-15-23-26(31-18(17)2)33(25(32-23)22-9-6-14-29-24(22)28)21-12-10-19(11-13-21)16-30-27(34)20-7-4-3-5-8-20/h3-15H,16H2,1-2H3,(H2,28,29)(H,30,34)
InChIKeyBRWLMCLUTAYQTD-UHFFFAOYSA-N
XLogP4.61
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide (CID 58344978) is N-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide is Cc1cc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4ccccc4)cc3)c2nc1C.
What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The InChIKey is BRWLMCLUTAYQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c1-17-15-23-26(31-18(17)2)33(25(32-23)22-9-6-14-29-24(22)28)21-12-10-19(11-13-21)16-30-27(34)20-7-4-3-5-8-20/h3-15H,16H2,1-2H3,(H2,28,29)(H,30,34).
What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
N-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide has a molecular weight of 448.53 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 58344978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).