1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide

C20H22ClN3O2 — CID 70171543

IUPAC1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccncc2)CCC(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O2/c21-16-3-1-14(2-4-16)18(25)15-5-9-20(13-22,10-6-15)19(26)24-17-7-11-23-12-8-17/h1-4,7-8,11-12,15H,5-6,9-10,13,22H2,(H,23,24,26)
InChIKeyUXXCFFSMWLKYNQ-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.69
Rot. Bonds5

About 1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide

1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide (PubChem CID 70171543) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID70171543
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccncc2)CCC(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O2/c21-16-3-1-14(2-4-16)18(25)15-5-9-20(13-22,10-6-15)19(26)24-17-7-11-23-12-8-17/h1-4,7-8,11-12,15H,5-6,9-10,13,22H2,(H,23,24,26)
InChIKeyUXXCFFSMWLKYNQ-UHFFFAOYSA-N
XLogP3.69
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
bis[4-[[(4-chlorobenzoyl)amino]methyl]-1-(pyridin-4-ylcarbamoyl)cyclohexyl] oxalate
CID 57166588
1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
CID 115448437
1-(aminomethyl)-4-(4-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 66719016
1-(aminomethyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 80599055
1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 115183955
4-ethyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 63127778
1-(aminomethyl)-N-(4-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441362
[4-(4-chlorophenyl)phenyl]-cyclopropylmethanone
CID 39358836
4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
CID 115452592
1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide
CID 115453515
1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide
CID 115441564

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide (CID 70171543) is 1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide is NCC1(C(=O)Nc2ccncc2)CCC(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide?
The InChIKey is UXXCFFSMWLKYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-16-3-1-14(2-4-16)18(25)15-5-9-20(13-22,10-6-15)19(26)24-17-7-11-23-12-8-17/h1-4,7-8,11-12,15H,5-6,9-10,13,22H2,(H,23,24,26).
What are the key properties of 1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide?
1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-(4-chlorobenzoyl)-N-pyridin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 70171543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).