2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide

C17H21N3O — CID 110766236

IUPAC2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)c(C)[nH]1
InChIInChI=1S/C17H21N3O/c1-12-11-16(13(2)18-12)17(21)19-14-5-7-15(8-6-14)20-9-3-4-10-20/h5-8,11,18H,3-4,9-10H2,1-2H3,(H,19,21)
InChIKeyIPGMPOXPZNSEKO-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.48
Rot. Bonds3

About 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide

2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 110766236) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID110766236
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)c(C)[nH]1
InChIInChI=1S/C17H21N3O/c1-12-11-16(13(2)18-12)17(21)19-14-5-7-15(8-6-14)20-9-3-4-10-20/h5-8,11,18H,3-4,9-10H2,1-2H3,(H,19,21)
InChIKeyIPGMPOXPZNSEKO-UHFFFAOYSA-N
XLogP3.48
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 110862042
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 110695203
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211
1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110862214
2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289649
6-fluoro-N-(4-piperidin-1-ylphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78903656
2-methyl-3-nitro-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960700

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide (CID 110766236) is 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)c(C)[nH]1.
What is the InChIKey of 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is IPGMPOXPZNSEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-11-16(13(2)18-12)17(21)19-14-5-7-15(8-6-14)20-9-3-4-10-20/h5-8,11,18H,3-4,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide?
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 110766236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).