1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide

C16H12ClN3O — CID 106766261

IUPAC1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide
SMILESCc1ncccc1NC(=O)c1cnc(Cl)c2ccccc12
InChIInChI=1S/C16H12ClN3O/c1-10-14(7-4-8-18-10)20-16(21)13-9-19-15(17)12-6-3-2-5-11(12)13/h2-9H,1H3,(H,20,21)
InChIKeyJBSKAVXSBBBOOM-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.84
Rot. Bonds2

About 1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide

1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide (PubChem CID 106766261) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide
PubChem CID106766261
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide
SMILESCc1ncccc1NC(=O)c1cnc(Cl)c2ccccc12
InChIInChI=1S/C16H12ClN3O/c1-10-14(7-4-8-18-10)20-16(21)13-9-19-15(17)12-6-3-2-5-11(12)13/h2-9H,1H3,(H,20,21)
InChIKeyJBSKAVXSBBBOOM-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'}

Analyze 1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide
CID 106833830
1-chloro-N-(1,3-dimethylpyrazol-4-yl)isoquinoline-4-carboxamide
CID 106766455
2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 71985815
1-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinoline-4-carboxamide
CID 106766417
2-amino-5-chloro-N-(2-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 114923980
1-chloro-N-(5-methyl-3-pyridinyl)isoquinoline-4-carboxamide
CID 106831970
5-chloro-2-(methylamino)-N-(2-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 114923981
3-hydroxy-2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 82829673
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
N-(2-acetamidoethyl)-1-chloroisoquinoline-4-carboxamide
CID 106765961
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide (CID 106766261) is 1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide is Cc1ncccc1NC(=O)c1cnc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide?
The InChIKey is JBSKAVXSBBBOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c1-10-14(7-4-8-18-10)20-16(21)13-9-19-15(17)12-6-3-2-5-11(12)13/h2-9H,1H3,(H,20,21).
What are the key properties of 1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide?
1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-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 1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106766261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).