4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide

C27H28N4O2 — CID 50847066

IUPAC4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3nc4cccnc4n3C3CCCCC3)cc2)c1
InChIInChI=1S/C27H28N4O2/c1-33-23-10-5-7-19(17-23)18-29-27(32)21-14-12-20(13-15-21)25-30-24-11-6-16-28-26(24)31(25)22-8-3-2-4-9-22/h5-7,10-17,22H,2-4,8-9,18H2,1H3,(H,29,32)
InChIKeyHDCVVIAHWNOWKG-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.54
Rot. Bonds6

About 4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide

4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 50847066) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID50847066
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3nc4cccnc4n3C3CCCCC3)cc2)c1
InChIInChI=1S/C27H28N4O2/c1-33-23-10-5-7-19(17-23)18-29-27(32)21-14-12-20(13-15-21)25-30-24-11-6-16-28-26(24)31(25)22-8-3-2-4-9-22/h5-7,10-17,22H,2-4,8-9,18H2,1H3,(H,29,32)
InChIKeyHDCVVIAHWNOWKG-UHFFFAOYSA-N
XLogP5.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 46331528
3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 53186906
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165132
3-methoxy-N-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide
CID 53020588
4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134798321
N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-methoxybenzamide
CID 53019777
N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide
CID 59192104
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781083
N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098915
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 26278368
5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 53115178

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide (CID 50847066) is 4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2ccc(-c3nc4cccnc4n3C3CCCCC3)cc2)c1.
What is the InChIKey of 4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is HDCVVIAHWNOWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-33-23-10-5-7-19(17-23)18-29-27(32)21-14-12-20(13-15-21)25-30-24-11-6-16-28-26(24)31(25)22-8-3-2-4-9-22/h5-7,10-17,22H,2-4,8-9,18H2,1H3,(H,29,32).
What are the key properties of 4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide?
4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 440.55 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 50847066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).