1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide

C18H24N4O — CID 53054891

IUPAC1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide
SMILESCC(CCNC(=O)c1cccn1-c1cccnc1)N1CCCC1
InChIInChI=1S/C18H24N4O/c1-15(21-11-2-3-12-21)8-10-20-18(23)17-7-5-13-22(17)16-6-4-9-19-14-16/h4-7,9,13-15H,2-3,8,10-12H2,1H3,(H,20,23)
InChIKeyDPXHCDQXYKNXDH-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.48
Rot. Bonds6

About 1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide

1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide (PubChem CID 53054891) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide
PubChem CID53054891
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide
SMILESCC(CCNC(=O)c1cccn1-c1cccnc1)N1CCCC1
InChIInChI=1S/C18H24N4O/c1-15(21-11-2-3-12-21)8-10-20-18(23)17-7-5-13-22(17)16-6-4-9-19-14-16/h4-7,9,13-15H,2-3,8,10-12H2,1H3,(H,20,23)
InChIKeyDPXHCDQXYKNXDH-UHFFFAOYSA-N
XLogP2.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-phenylpropyl]-1-pyridin-3-ylpyrrole-2-carboxamide
CID 93055498
N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide
CID 53004624
N-[2-(furan-2-yl)ethyl]-1-pyridin-3-ylpyrrole-2-carboxamide
CID 53024393
N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide
CID 93157610
1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 52998688
N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20936990
6-methyl-1-phenyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide
CID 92895706
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
CID 95064495
N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
CID 50765425
N-[(3R)-3-(azepan-1-yl)butyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
CID 95082723
N-[(4-chlorophenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
CID 50765409
4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide
CID 110620637

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide?
The IUPAC name of 1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide (CID 53054891) is 1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide is CC(CCNC(=O)c1cccn1-c1cccnc1)N1CCCC1.
What is the InChIKey of 1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide?
The InChIKey is DPXHCDQXYKNXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-15(21-11-2-3-12-21)8-10-20-18(23)17-7-5-13-22(17)16-6-4-9-19-14-16/h4-7,9,13-15H,2-3,8,10-12H2,1H3,(H,20,23).
What are the key properties of 1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide?
1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide is sourced from PubChem (CID 53054891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).