4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide

C16H11Cl2N3O — CID 56530341

IUPAC4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccc1)c1cc(Cl)ccn1
InChIInChI=1S/C16H11Cl2N3O/c17-11-3-4-13(15(10-11)21-7-1-2-8-21)20-16(22)14-9-12(18)5-6-19-14/h1-10H,(H,20,22)
InChIKeyNTBGZJDZVKWKMA-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.43
Rot. Bonds3

About 4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide

4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide (PubChem CID 56530341) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide
PubChem CID56530341
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccc1)c1cc(Cl)ccn1
InChIInChI=1S/C16H11Cl2N3O/c17-11-3-4-13(15(10-11)21-7-1-2-8-21)20-16(22)14-9-12(18)5-6-19-14/h1-10H,(H,20,22)
InChIKeyNTBGZJDZVKWKMA-UHFFFAOYSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide
CID 56535981
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide
CID 56582460
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
4-chloro-N-(2-hydroxyphenyl)pyridine-2-carboxamide
CID 35852171
(E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide
CID 56583216
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide
CID 56530750
4-chloro-N-(4-chloro-2-nitrophenyl)pyridine-2-carboxamide
CID 60705527
4-chloro-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340906
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-phenylacetamide
CID 56582364
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide
CID 56530719

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide (CID 56530341) is 4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide is O=C(Nc1ccc(Cl)cc1-n1cccc1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide?
The InChIKey is NTBGZJDZVKWKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c17-11-3-4-13(15(10-11)21-7-1-2-8-21)20-16(22)14-9-12(18)5-6-19-14/h1-10H,(H,20,22).
What are the key properties of 4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide?
4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide has a molecular weight of 332.19 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 56530341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).