1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide

C18H23N3O — CID 110698865

IUPAC1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCc2ccncc2)c(C)n1C1CC1
InChIInChI=1S/C18H23N3O/c1-13-12-17(14(2)21(13)16-4-5-16)18(22)20(3)11-8-15-6-9-19-10-7-15/h6-7,9-10,12,16H,4-5,8,11H2,1-3H3
InChIKeyHZPFOUDHRQLSCC-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.15
Rot. Bonds5

About 1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide

1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide (PubChem CID 110698865) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide
PubChem CID110698865
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCc2ccncc2)c(C)n1C1CC1
InChIInChI=1S/C18H23N3O/c1-13-12-17(14(2)21(13)16-4-5-16)18(22)20(3)11-8-15-6-9-19-10-7-15/h6-7,9-10,12,16H,4-5,8,11H2,1-3H3
InChIKeyHZPFOUDHRQLSCC-UHFFFAOYSA-N
XLogP3.15
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 110852590
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415
4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761596
N,2,4-trimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 110852637
N,4-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 108987957
5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60913362
5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110762978
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 9402857
N-methyl-4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 103337389
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
CID 110765803
1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109050711
N,3-dimethyl-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
CID 110695643

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide (CID 110698865) is 1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)N(C)CCc2ccncc2)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide?
The InChIKey is HZPFOUDHRQLSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-12-17(14(2)21(13)16-4-5-16)18(22)20(3)11-8-15-6-9-19-10-7-15/h6-7,9-10,12,16H,4-5,8,11H2,1-3H3.
What are the key properties of 1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide?
1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 110698865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).