4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide

C24H27N5O2 — CID 56510461

IUPAC4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)c3cc(C)n(-c4cccnc4)c3C)CC2)c1
InChIInChI=1S/C24H27N5O2/c1-17-6-4-7-20(14-17)26-24(31)28-12-10-27(11-13-28)23(30)22-15-18(2)29(19(22)3)21-8-5-9-25-16-21/h4-9,14-16H,10-13H2,1-3H3,(H,26,31)
InChIKeyKSJJXARPJWLFJD-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.79
Rot. Bonds3

About 4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide

4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 56510461) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID56510461
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)c3cc(C)n(-c4cccnc4)c3C)CC2)c1
InChIInChI=1S/C24H27N5O2/c1-17-6-4-7-20(14-17)26-24(31)28-12-10-27(11-13-28)23(30)22-15-18(2)29(19(22)3)21-8-5-9-25-16-21/h4-9,14-16H,10-13H2,1-3H3,(H,26,31)
InChIKeyKSJJXARPJWLFJD-UHFFFAOYSA-N
XLogP3.79
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 42666320
2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide
CID 39908206
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methanone
CID 95591997
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide
CID 122146787
N-(3-methylphenyl)-4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazine-1-carboxamide
CID 56509941
(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 97067813
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
(3,4-dichlorophenyl)-[1-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)piperidin-4-yl]methanone
CID 55979056
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone
CID 95584396
4-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 110659385

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide (CID 56510461) is 4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(C(=O)c3cc(C)n(-c4cccnc4)c3C)CC2)c1.
What is the InChIKey of 4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is KSJJXARPJWLFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17-6-4-7-20(14-17)26-24(31)28-12-10-27(11-13-28)23(30)22-15-18(2)29(19(22)3)21-8-5-9-25-16-21/h4-9,14-16H,10-13H2,1-3H3,(H,26,31).
What are the key properties of 4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 56510461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).