4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide

C17H14ClN3O — CID 166218692

IUPAC4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccncc1NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1
InChIInChI=1S/C17H14ClN3O/c1-11-6-7-19-10-16(11)21-17(22)15-8-13(9-20-15)12-2-4-14(18)5-3-12/h2-10,20H,1H3,(H,21,22)
InChIKeyOZIRQUHHWXVWHT-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.29
Rot. Bonds3

About 4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide

4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide (PubChem CID 166218692) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
PubChem CID166218692
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccncc1NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1
InChIInChI=1S/C17H14ClN3O/c1-11-6-7-19-10-16(11)21-17(22)15-8-13(9-20-15)12-2-4-14(18)5-3-12/h2-10,20H,1H3,(H,21,22)
InChIKeyOZIRQUHHWXVWHT-UHFFFAOYSA-N
XLogP4.29
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 55220101
5-fluoro-6-methyl-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 146080352
2-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826552
6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 63327625
N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087364
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327399
2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
CID 144842731
5-amino-2-chloro-N-(4-methyl-3-pyridinyl)benzamide
CID 55202646
N-(4-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087363
2-(4-chlorophenoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826553
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide (CID 166218692) is 4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide is Cc1ccncc1NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide?
The InChIKey is OZIRQUHHWXVWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-11-6-7-19-10-16(11)21-17(22)15-8-13(9-20-15)12-2-4-14(18)5-3-12/h2-10,20H,1H3,(H,21,22).
What are the key properties of 4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide?
4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 166218692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).