1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide

C20H19ClN4O2 — CID 123517316

IUPAC1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide
SMILESCC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3cc(C)ccc3Cl)c2)c(C)cn1
InChIInChI=1S/C20H19ClN4O2/c1-11-4-5-17(21)14(6-11)15-9-25(10-16(15)20(22)27)18-7-19(24-13(3)26)23-8-12(18)2/h4-10H,1-3H3,(H2,22,27)(H,23,24,26)
InChIKeyYRGLTKZDOIFOFJ-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.87
Rot. Bonds4

About 1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide

1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide (PubChem CID 123517316) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide
PubChem CID123517316
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide
SMILESCC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3cc(C)ccc3Cl)c2)c(C)cn1
InChIInChI=1S/C20H19ClN4O2/c1-11-4-5-17(21)14(6-11)15-9-25(10-16(15)20(22)27)18-7-19(24-13(3)26)23-8-12(18)2/h4-10H,1-3H3,(H2,22,27)(H,23,24,26)
InChIKeyYRGLTKZDOIFOFJ-UHFFFAOYSA-N
XLogP3.87
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide
CID 71620822
methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate
CID 71622459
N-[4-[3-[2-chloro-5-[(dimethylamino)methyl]phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide
CID 71622191
N-(4-amino-5-methyl-2-pyridinyl)acetamide
CID 66747868
N-[4-[3-(2-chlorophenyl)-4-(N'-methanimidoylcarbamimidoyl)pyrrol-1-yl]-2-pyridinyl]acetamide
CID 123643754
N-(5-amino-4-methyl-2-pyridinyl)acetamide
CID 22063573
N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 95172667
ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen
CID 145105834
N-(5-methyl-4-trimethylstannyl-2-pyridinyl)acetamide
CID 66747865
2-acetyl-4-methylbenzamide
CID 163253724
5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide
CID 67776725
N'-(5-methyl-2-pyridinyl)oxamide
CID 23087857

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide (CID 123517316) is 1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide is CC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3cc(C)ccc3Cl)c2)c(C)cn1.
What is the InChIKey of 1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is YRGLTKZDOIFOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-11-4-5-17(21)14(6-11)15-9-25(10-16(15)20(22)27)18-7-19(24-13(3)26)23-8-12(18)2/h4-10H,1-3H3,(H2,22,27)(H,23,24,26).
What are the key properties of 1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide?
1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 123517316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).