N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide

C22H30N4O2 — CID 72844258

IUPACN-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide
SMILESCOc1cccc(-c2nc3c([nH]2)CN(C(C)C(=O)NC2CCCCC2)CC3)c1
InChIInChI=1S/C22H30N4O2/c1-15(22(27)23-17-8-4-3-5-9-17)26-12-11-19-20(14-26)25-21(24-19)16-7-6-10-18(13-16)28-2/h6-7,10,13,15,17H,3-5,8-9,11-12,14H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyJPINHQPAXIQMRO-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.28
Rot. Bonds5

About N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide

N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide (PubChem CID 72844258) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide
PubChem CID72844258
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide
SMILESCOc1cccc(-c2nc3c([nH]2)CN(C(C)C(=O)NC2CCCCC2)CC3)c1
InChIInChI=1S/C22H30N4O2/c1-15(22(27)23-17-8-4-3-5-9-17)26-12-11-19-20(14-26)25-21(24-19)16-7-6-10-18(13-16)28-2/h6-7,10,13,15,17H,3-5,8-9,11-12,14H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyJPINHQPAXIQMRO-UHFFFAOYSA-N
XLogP3.28
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(4-methylpiperazin-1-yl)propan-1-one
CID 97435822
(2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one
CID 97434224
5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72922947
2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 97444031
2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 97455433
N-cyclohexyl-2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 91776186
2-(3-methoxyphenyl)-5-pyridin-4-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72866371
(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722
(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 8592209
N-cyclooctyl-2-(3-methoxyphenoxy)butanamide
CID 46769347
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
CID 46043602

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide?
The IUPAC name of N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide (CID 72844258) is N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide is COc1cccc(-c2nc3c([nH]2)CN(C(C)C(=O)NC2CCCCC2)CC3)c1.
What is the InChIKey of N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide?
The InChIKey is JPINHQPAXIQMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15(22(27)23-17-8-4-3-5-9-17)26-12-11-19-20(14-26)25-21(24-19)16-7-6-10-18(13-16)28-2/h6-7,10,13,15,17H,3-5,8-9,11-12,14H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide?
N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide has a molecular weight of 382.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide is sourced from PubChem (CID 72844258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).