2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

C21H30N4O — CID 119824888

IUPAC2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCCCN(C(=O)c1cc(C)n(Cc2ccccn2)c1C)C1CCNCC1
InChIInChI=1S/C21H30N4O/c1-4-13-24(19-8-11-22-12-9-19)21(26)20-14-16(2)25(17(20)3)15-18-7-5-6-10-23-18/h5-7,10,14,19,22H,4,8-9,11-13,15H2,1-3H3
InChIKeyPWVAVHIBSKUPAD-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.15
Rot. Bonds6

About 2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 119824888) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID119824888
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCCCN(C(=O)c1cc(C)n(Cc2ccccn2)c1C)C1CCNCC1
InChIInChI=1S/C21H30N4O/c1-4-13-24(19-8-11-22-12-9-19)21(26)20-14-16(2)25(17(20)3)15-18-7-5-6-10-23-18/h5-7,10,14,19,22H,4,8-9,11-13,15H2,1-3H3
InChIKeyPWVAVHIBSKUPAD-UHFFFAOYSA-N
XLogP3.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]-(3-methylpiperazin-1-yl)methanone
CID 119578814
2,5-dimethyl-N-(4-methylcyclohexyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39907744
2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride
CID 119557511
N,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78864099
5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 119825262
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
N-(azetidin-3-yl)-N-propyl-2-pyridin-2-ylacetamide
CID 66182452
5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 119823592
(2S)-1-[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365218
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78871414
[4-[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]piperazin-1-yl]-phenylmethanone
CID 39915731

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (CID 119824888) is 2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is CCCN(C(=O)c1cc(C)n(Cc2ccccn2)c1C)C1CCNCC1.
What is the InChIKey of 2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is PWVAVHIBSKUPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-4-13-24(19-8-11-22-12-9-19)21(26)20-14-16(2)25(17(20)3)15-18-7-5-6-10-23-18/h5-7,10,14,19,22H,4,8-9,11-13,15H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 119824888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).