4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

C19H21ClN2O — CID 2815214

IUPAC4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1cccnc1)C1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O/c20-18-9-7-16(8-10-18)15-3-5-17(6-4-15)19(23)22-13-14-2-1-11-21-12-14/h1-2,7-12,15,17H,3-6,13H2,(H,22,23)
InChIKeyFXECGWGAPAQZTJ-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.33
Rot. Bonds4

About 4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 2815214) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID2815214
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1cccnc1)C1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O/c20-18-9-7-16(8-10-18)15-3-5-17(6-4-15)19(23)22-13-14-2-1-11-21-12-14/h1-2,7-12,15,17H,3-6,13H2,(H,22,23)
InChIKeyFXECGWGAPAQZTJ-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 42517374
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 796278
4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148824
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148789
1-(2-chloro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453933

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide (CID 2815214) is 4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide is O=C(NCc1cccnc1)C1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is FXECGWGAPAQZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-18-9-7-16(8-10-18)15-3-5-17(6-4-15)19(23)22-13-14-2-1-11-21-12-14/h1-2,7-12,15,17H,3-6,13H2,(H,22,23).
What are the key properties of 4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 328.84 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 2815214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).