4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide

C12H10ClN3O — CID 25346044

IUPAC4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Cl)ccn2)n1
InChIInChI=1S/C12H10ClN3O/c1-8-3-2-4-11(15-8)16-12(17)10-7-9(13)5-6-14-10/h2-7H,1H3,(H,15,16,17)
InChIKeyMZBOVUKDOCFXFB-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.69
Rot. Bonds2

About 4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide

4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 25346044) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
PubChem CID25346044
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Cl)ccn2)n1
InChIInChI=1S/C12H10ClN3O/c1-8-3-2-4-11(15-8)16-12(17)10-7-9(13)5-6-14-10/h2-7H,1H3,(H,15,16,17)
InChIKeyMZBOVUKDOCFXFB-UHFFFAOYSA-N
XLogP2.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide (CID 25346044) is 4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide is Cc1cccc(NC(=O)c2cc(Cl)ccn2)n1.
What is the InChIKey of 4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is MZBOVUKDOCFXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-8-3-2-4-11(15-8)16-12(17)10-7-9(13)5-6-14-10/h2-7H,1H3,(H,15,16,17).
What are the key properties of 4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 247.69 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 25346044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).