N-(2-chloro-4-methyl-3-pyridinyl)pyridine-2-carboxamide

C12H10ClN3O — CID 103696101

IUPACN-(2-chloro-4-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCc1ccnc(Cl)c1NC(=O)c1ccccn1
InChIInChI=1S/C12H10ClN3O/c1-8-5-7-15-11(13)10(8)16-12(17)9-4-2-3-6-14-9/h2-7H,1H3,(H,16,17)
InChIKeyJBAJHVALCTYFFH-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.69
Rot. Bonds2

About N-(2-chloro-4-methyl-3-pyridinyl)pyridine-2-carboxamide

N-(2-chloro-4-methyl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 103696101) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is N-(2-chloro-4-methyl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methyl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID103696101
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC NameN-(2-chloro-4-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCc1ccnc(Cl)c1NC(=O)c1ccccn1
InChIInChI=1S/C12H10ClN3O/c1-8-5-7-15-11(13)10(8)16-12(17)9-4-2-3-6-14-9/h2-7H,1H3,(H,16,17)
InChIKeyJBAJHVALCTYFFH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)pyridine-2-carboxamide (CID 103696101) is N-(2-chloro-4-methyl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methyl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-methyl-3-pyridinyl)pyridine-2-carboxamide is Cc1ccnc(Cl)c1NC(=O)c1ccccn1.
What is the InChIKey of N-(2-chloro-4-methyl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is JBAJHVALCTYFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-8-5-7-15-11(13)10(8)16-12(17)9-4-2-3-6-14-9/h2-7H,1H3,(H,16,17).
What are the key properties of N-(2-chloro-4-methyl-3-pyridinyl)pyridine-2-carboxamide?
N-(2-chloro-4-methyl-3-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 N-(2-chloro-4-methyl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 103696101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).