N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide

C22H24FN3O2 — CID 146120407

IUPACN-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H](C(=O)N2CCCC2)[C@@H](c2ccc(F)cc2)C1)c1ccncc1
InChIInChI=1S/C22H24FN3O2/c23-17-5-3-15(4-6-17)19-13-18(25-21(27)16-7-9-24-10-8-16)14-20(19)22(28)26-11-1-2-12-26/h3-10,18-20H,1-2,11-14H2,(H,25,27)/t18-,19+,20-/m0/s1
InChIKeyJPEXAOFKEQXSAQ-ZCNNSNEGSA-N
MW381.45 g/mol
LogP3.14
Rot. Bonds4

About N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide

N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide (PubChem CID 146120407) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
PubChem CID146120407
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H](C(=O)N2CCCC2)[C@@H](c2ccc(F)cc2)C1)c1ccncc1
InChIInChI=1S/C22H24FN3O2/c23-17-5-3-15(4-6-17)19-13-18(25-21(27)16-7-9-24-10-8-16)14-20(19)22(28)26-11-1-2-12-26/h3-10,18-20H,1-2,11-14H2,(H,25,27)/t18-,19+,20-/m0/s1
InChIKeyJPEXAOFKEQXSAQ-ZCNNSNEGSA-N
XLogP3.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide
CID 146120417
(2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone
CID 174960082
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 94532811
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 94532765
N-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide
CID 146120096
1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
CID 146120411
[(3S,4R)-1-(4-fluorobenzoyl)-4-(4-fluorophenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93151591
[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559905
(3R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125132949
N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
CID 91925633
azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone
CID 159512184
[(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 66796086

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide (CID 146120407) is N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide is O=C(N[C@@H]1C[C@H](C(=O)N2CCCC2)[C@@H](c2ccc(F)cc2)C1)c1ccncc1.
What is the InChIKey of N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide?
The InChIKey is JPEXAOFKEQXSAQ-ZCNNSNEGSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-17-5-3-15(4-6-17)19-13-18(25-21(27)16-7-9-24-10-8-16)14-20(19)22(28)26-11-1-2-12-26/h3-10,18-20H,1-2,11-14H2,(H,25,27)/t18-,19+,20-/m0/s1.
What are the key properties of N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide?
N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 146120407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).