2-chloro-5-methyl-N-quinolin-3-ylpyridine-3-carboxamide

C16H12ClN3O — CID 52946719

IUPAC2-chloro-5-methyl-N-quinolin-3-ylpyridine-3-carboxamide
SMILESCc1cnc(Cl)c(C(=O)Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C16H12ClN3O/c1-10-6-13(15(17)19-8-10)16(21)20-12-7-11-4-2-3-5-14(11)18-9-12/h2-9H,1H3,(H,20,21)
InChIKeyLPDSZXFVXAKHIO-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.84
Rot. Bonds2

About 2-chloro-5-methyl-N-quinolin-3-ylpyridine-3-carboxamide

2-chloro-5-methyl-N-quinolin-3-ylpyridine-3-carboxamide (PubChem CID 52946719) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-quinolin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-methyl-N-quinolin-3-ylpyridine-3-carboxamide
PubChem CID52946719
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name2-chloro-5-methyl-N-quinolin-3-ylpyridine-3-carboxamide
SMILESCc1cnc(Cl)c(C(=O)Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C16H12ClN3O/c1-10-6-13(15(17)19-8-10)16(21)20-12-7-11-4-2-3-5-14(11)18-9-12/h2-9H,1H3,(H,20,21)
InChIKeyLPDSZXFVXAKHIO-UHFFFAOYSA-N
XLogP3.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.84
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 2-chloro-5-methyl-N-quinolin-3-ylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-methyl-N-quinolin-3-ylpyridine-3-carboxamide (CID 52946719) is 2-chloro-5-methyl-N-quinolin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-methyl-N-quinolin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-methyl-N-quinolin-3-ylpyridine-3-carboxamide is Cc1cnc(Cl)c(C(=O)Nc2cnc3ccccc3c2)c1.
What is the InChIKey of 2-chloro-5-methyl-N-quinolin-3-ylpyridine-3-carboxamide?
The InChIKey is LPDSZXFVXAKHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c1-10-6-13(15(17)19-8-10)16(21)20-12-7-11-4-2-3-5-14(11)18-9-12/h2-9H,1H3,(H,20,21).
What are the key properties of 2-chloro-5-methyl-N-quinolin-3-ylpyridine-3-carboxamide?
2-chloro-5-methyl-N-quinolin-3-ylpyridine-3-carboxamide has a molecular weight of 297.75 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-quinolin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 52946719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).