1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide

C24H27FN4O — CID 86964132

IUPAC1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide
SMILESCc1cccc(N2CCC(NC(=O)c3cc(C)n(-c4ccccc4F)c3C)CC2)n1
InChIInChI=1S/C24H27FN4O/c1-16-7-6-10-23(26-16)28-13-11-19(12-14-28)27-24(30)20-15-17(2)29(18(20)3)22-9-5-4-8-21(22)25/h4-10,15,19H,11-14H2,1-3H3,(H,27,30)
InChIKeyFOAVUTNWFYUJQM-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.34
Rot. Bonds4

About 1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide

1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide (PubChem CID 86964132) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide
PubChem CID86964132
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide
SMILESCc1cccc(N2CCC(NC(=O)c3cc(C)n(-c4ccccc4F)c3C)CC2)n1
InChIInChI=1S/C24H27FN4O/c1-16-7-6-10-23(26-16)28-13-11-19(12-14-28)27-24(30)20-15-17(2)29(18(20)3)22-9-5-4-8-21(22)25/h4-10,15,19H,11-14H2,1-3H3,(H,27,30)
InChIKeyFOAVUTNWFYUJQM-UHFFFAOYSA-N
XLogP4.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 25394128
2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide
CID 86964134
1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 24655315
1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 55991329
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55949930
2,5-dimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide;hydrochloride
CID 119390059
cis-(1R,3S)-3-[[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678201
2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 86964460
2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119453913
2-amino-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide
CID 120800744
1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
CID 96518828
1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 111506440

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide (CID 86964132) is 1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide is Cc1cccc(N2CCC(NC(=O)c3cc(C)n(-c4ccccc4F)c3C)CC2)n1.
What is the InChIKey of 1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide?
The InChIKey is FOAVUTNWFYUJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-16-7-6-10-23(26-16)28-13-11-19(12-14-28)27-24(30)20-15-17(2)29(18(20)3)22-9-5-4-8-21(22)25/h4-10,15,19H,11-14H2,1-3H3,(H,27,30).
What are the key properties of 1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide?
1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 86964132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).