1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide

C23H29N3O — CID 166383933

IUPAC1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccc(-c2ccncc2)c1)C1CCN(C2CCCCC2)C1
InChIInChI=1S/C23H29N3O/c27-23(21-11-14-26(17-21)22-7-2-1-3-8-22)25-16-18-5-4-6-20(15-18)19-9-12-24-13-10-19/h4-6,9-10,12-13,15,21-22H,1-3,7-8,11,14,16-17H2,(H,25,27)
InChIKeyLPGPCTJQZIUMEJ-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.02
Rot. Bonds5

About 1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide

1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 166383933) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID166383933
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccc(-c2ccncc2)c1)C1CCN(C2CCCCC2)C1
InChIInChI=1S/C23H29N3O/c27-23(21-11-14-26(17-21)22-7-2-1-3-8-22)25-16-18-5-4-6-20(15-18)19-9-12-24-13-10-19/h4-6,9-10,12-13,15,21-22H,1-3,7-8,11,14,16-17H2,(H,25,27)
InChIKeyLPGPCTJQZIUMEJ-UHFFFAOYSA-N
XLogP4.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-benzyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25288590
1-(1-benzylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 45169933
(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 95527743
(3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882096
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677
(3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96576575
1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26411415
N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide
CID 90710188
(3R)-1-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96573564
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide
CID 118526786

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 166383933) is 1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is O=C(NCc1cccc(-c2ccncc2)c1)C1CCN(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is LPGPCTJQZIUMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-23(21-11-14-26(17-21)22-7-2-1-3-8-22)25-16-18-5-4-6-20(15-18)19-9-12-24-13-10-19/h4-6,9-10,12-13,15,21-22H,1-3,7-8,11,14,16-17H2,(H,25,27).
What are the key properties of 1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 166383933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).