3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide

C11H8Cl3N3O — CID 106385570

IUPAC3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cc[nH]c1)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H8Cl3N3O/c12-7-5-16-10(9(14)8(7)13)11(18)17-4-6-1-2-15-3-6/h1-3,5,15H,4H2,(H,17,18)
InChIKeyKIGFATFTQSHFQH-UHFFFAOYSA-N
MW304.56 g/mol
LogP3.30
Rot. Bonds3

About 3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide

3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 106385570) has the molecular formula C11H8Cl3N3O and a molecular weight of 304.56 g/mol. Its IUPAC name is 3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide
PubChem CID106385570
Molecular FormulaC11H8Cl3N3O
Molecular Weight304.56 g/mol
Exact Mass302.97
IUPAC Name3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cc[nH]c1)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H8Cl3N3O/c12-7-5-16-10(9(14)8(7)13)11(18)17-4-6-1-2-15-3-6/h1-3,5,15H,4H2,(H,17,18)
InChIKeyKIGFATFTQSHFQH-UHFFFAOYSA-N
XLogP3.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.56
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-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

5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide
CID 106385033
6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide
CID 106385210
2,4-dichloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114182114
3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385065
4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385485
2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384629
2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384825
2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 110782736
2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide
CID 106385466
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110782649
3,4,5-trichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-2-carboxamide
CID 107845514

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide (CID 106385570) is 3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cc[nH]c1)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is KIGFATFTQSHFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3O/c12-7-5-16-10(9(14)8(7)13)11(18)17-4-6-1-2-15-3-6/h1-3,5,15H,4H2,(H,17,18).
What are the key properties of 3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide?
3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 304.56 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 106385570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).