5-[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]-N-cyclopropylpyridine-2-carboxamide

C20H19ClN4O — CID 143882187

IUPAC5-[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]-N-cyclopropylpyridine-2-carboxamide
SMILESN#Cc1ccc(N2CCC(c3ccc(C(=O)NC4CC4)nc3)C2)cc1Cl
InChIInChI=1S/C20H19ClN4O/c21-18-9-17(5-1-13(18)10-22)25-8-7-15(12-25)14-2-6-19(23-11-14)20(26)24-16-3-4-16/h1-2,5-6,9,11,15-16H,3-4,7-8,12H2,(H,24,26)
InChIKeyMXRNOIMURVSHDC-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.49
Rot. Bonds4

About 5-[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]-N-cyclopropylpyridine-2-carboxamide

5-[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]-N-cyclopropylpyridine-2-carboxamide (PubChem CID 143882187) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 5-[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]-N-cyclopropylpyridine-2-carboxamide
PubChem CID143882187
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name5-[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]-N-cyclopropylpyridine-2-carboxamide
SMILESN#Cc1ccc(N2CCC(c3ccc(C(=O)NC4CC4)nc3)C2)cc1Cl
InChIInChI=1S/C20H19ClN4O/c21-18-9-17(5-1-13(18)10-22)25-8-7-15(12-25)14-2-6-19(23-11-14)20(26)24-16-3-4-16/h1-2,5-6,9,11,15-16H,3-4,7-8,12H2,(H,24,26)
InChIKeyMXRNOIMURVSHDC-UHFFFAOYSA-N
XLogP3.49
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]carbamoyl]pyridine-3-carboxylate
CID 143882054
4-[3-(6-bromo-3-pyridinyl)pyrrolidin-1-yl]-2-chlorobenzonitrile;methanol
CID 143882219
2-chloro-4-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-1-yl]benzonitrile
CID 143882169
2-chloro-4-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 62945565
5-chloro-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155212260
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[(3R)-3-methylpiperazin-1-yl]pyrazine-2-carboxamide
CID 155219015
N-cyclopropyl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109179845
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155218483
5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109182978
5-N-tert-butyl-2-N-[(2S,3S)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]pyridine-2,5-dicarboxamide
CID 163572216
1-(3-chloro-4-cyanophenyl)piperidine-3-carboxylic acid
CID 62944659
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2-[(3R)-3-formylpyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 134413973

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 5-[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]-N-cyclopropylpyridine-2-carboxamide (CID 143882187) is 5-[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 5-[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 5-[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]-N-cyclopropylpyridine-2-carboxamide is N#Cc1ccc(N2CCC(c3ccc(C(=O)NC4CC4)nc3)C2)cc1Cl.
What is the InChIKey of 5-[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is MXRNOIMURVSHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-18-9-17(5-1-13(18)10-22)25-8-7-15(12-25)14-2-6-19(23-11-14)20(26)24-16-3-4-16/h1-2,5-6,9,11,15-16H,3-4,7-8,12H2,(H,24,26).
What are the key properties of 5-[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]-N-cyclopropylpyridine-2-carboxamide?
5-[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloro-4-cyanophenyl)pyrrolidin-3-yl]-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 143882187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).