4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide

C16H12ClN3O — CID 81230952

IUPAC4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2cccc3ncccc23)cn1
InChIInChI=1S/C16H12ClN3O/c1-10-8-13(17)12(9-19-10)16(21)20-15-6-2-5-14-11(15)4-3-7-18-14/h2-9H,1H3,(H,20,21)
InChIKeyVRTRSBCMPGPDTO-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.84
Rot. Bonds2

About 4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide

4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide (PubChem CID 81230952) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide
PubChem CID81230952
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2cccc3ncccc23)cn1
InChIInChI=1S/C16H12ClN3O/c1-10-8-13(17)12(9-19-10)16(21)20-15-6-2-5-14-11(15)4-3-7-18-14/h2-9H,1H3,(H,20,21)
InChIKeyVRTRSBCMPGPDTO-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

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Related Compounds

2-chloro-N-quinolin-5-ylfuran-3-carboxamide
CID 106685203
2-bromo-5-methyl-N-quinolin-5-ylbenzamide
CID 80955712
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
6-amino-5-chloro-N-quinolin-5-ylpyridine-3-carboxamide
CID 62151637
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide
CID 81226564
3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 17396837
N-(3-acetamidophenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81228962
4-chloro-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81225554
4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 81227997

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide (CID 81230952) is 4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)Nc2cccc3ncccc23)cn1.
What is the InChIKey of 4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide?
The InChIKey is VRTRSBCMPGPDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c1-10-8-13(17)12(9-19-10)16(21)20-15-6-2-5-14-11(15)4-3-7-18-14/h2-9H,1H3,(H,20,21).
What are the key properties of 4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide?
4-chloro-6-methyl-N-quinolin-5-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 4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 81230952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).