N-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide

C23H25N3O — CID 142280096

IUPACN-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide
SMILESO=C(NCC1CCC(c2ccccc2)CC1)c1c[nH]cc1-c1cccnc1
InChIInChI=1S/C23H25N3O/c27-23(22-16-25-15-21(22)20-7-4-12-24-14-20)26-13-17-8-10-19(11-9-17)18-5-2-1-3-6-18/h1-7,12,14-17,19,25H,8-11,13H2,(H,26,27)
InChIKeyGOKAZSOKSOJWKK-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.78
Rot. Bonds5

About N-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide

N-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide (PubChem CID 142280096) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide
PubChem CID142280096
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide
SMILESO=C(NCC1CCC(c2ccccc2)CC1)c1c[nH]cc1-c1cccnc1
InChIInChI=1S/C23H25N3O/c27-23(22-16-25-15-21(22)20-7-4-12-24-14-20)26-13-17-8-10-19(11-9-17)18-5-2-1-3-6-18/h1-7,12,14-17,19,25H,8-11,13H2,(H,26,27)
InChIKeyGOKAZSOKSOJWKK-UHFFFAOYSA-N
XLogP4.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
CID 142279626
N-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 142279898
4-(4,5-difluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
CID 142279803
4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
CID 142279830
4-phenyl-N-[(4-phenylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 142279944
4-(3-cyanocyclohexa-2,4-dien-1-yl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
CID 163707422
4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
CID 122144511
1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride
CID 119459838
1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea
CID 111109574
N-[(4-cyclohexa-1,5-dien-1-ylcyclohexyl)methyl]-4-(4-fluoro-3-hydroxyphenyl)-1H-pyrrole-3-carboxamide
CID 142280115
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 120946153
N-(cyclopropylmethyl)pyridazine-3-carboxamide
CID 158437543

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide (CID 142280096) is N-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide is O=C(NCC1CCC(c2ccccc2)CC1)c1c[nH]cc1-c1cccnc1.
What is the InChIKey of N-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide?
The InChIKey is GOKAZSOKSOJWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(22-16-25-15-21(22)20-7-4-12-24-14-20)26-13-17-8-10-19(11-9-17)18-5-2-1-3-6-18/h1-7,12,14-17,19,25H,8-11,13H2,(H,26,27).
What are the key properties of N-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide?
N-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142280096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).