5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide

C20H18ClN3O2 — CID 67611102

IUPAC5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide
SMILESCc1cc(C(=O)N(C)c2cccnc2)n(C)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O2/c1-13-11-17(20(26)23(2)16-5-4-10-22-12-16)24(3)18(13)19(25)14-6-8-15(21)9-7-14/h4-12H,1-3H3
InChIKeyGHADXGQDYBZZNK-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.89
Rot. Bonds4

About 5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide

5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide (PubChem CID 67611102) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide
PubChem CID67611102
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide
SMILESCc1cc(C(=O)N(C)c2cccnc2)n(C)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O2/c1-13-11-17(20(26)23(2)16-5-4-10-22-12-16)24(3)18(13)19(25)14-6-8-15(21)9-7-14/h4-12H,1-3H3
InChIKeyGHADXGQDYBZZNK-UHFFFAOYSA-N
XLogP3.89
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]-3,3-dimethyl-1-pyridin-3-ylurea
CID 67611073
2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130330750
2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164319
5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide
CID 113236277
4-acetamido-N-methyl-N-pyridin-3-ylbenzamide
CID 59607027
N-methyl-4-nitro-N-pyridin-3-ylbenzamide
CID 59607131
2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide
CID 13277467
N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164300
N,3-dimethyl-2-(1-methyltriazol-4-yl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 130332406
2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 138675099
4-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-pyridin-3-ylbenzamide
CID 59607202
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide?
The IUPAC name of 5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide (CID 67611102) is 5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide?
The canonical SMILES for 5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide is Cc1cc(C(=O)N(C)c2cccnc2)n(C)c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide?
The InChIKey is GHADXGQDYBZZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13-11-17(20(26)23(2)16-5-4-10-22-12-16)24(3)18(13)19(25)14-6-8-15(21)9-7-14/h4-12H,1-3H3.
What are the key properties of 5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide?
5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide is sourced from PubChem (CID 67611102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).