2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide

C15H16ClN3O — CID 115376771

IUPAC2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2Cl)cc1N(C)C
InChIInChI=1S/C15H16ClN3O/c1-10-6-7-11(9-13(10)19(2)3)18-15(20)12-5-4-8-17-14(12)16/h4-9H,1-3H3,(H,18,20)
InChIKeyCXONWFHBEAGIPW-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.36
Rot. Bonds3

About 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide

2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide (PubChem CID 115376771) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide
PubChem CID115376771
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2Cl)cc1N(C)C
InChIInChI=1S/C15H16ClN3O/c1-10-6-7-11(9-13(10)19(2)3)18-15(20)12-5-4-8-17-14(12)16/h4-9H,1-3H3,(H,18,20)
InChIKeyCXONWFHBEAGIPW-UHFFFAOYSA-N
XLogP3.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.36
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-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide (CID 115376771) is 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccnc2Cl)cc1N(C)C.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide?
The InChIKey is CXONWFHBEAGIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10-6-7-11(9-13(10)19(2)3)18-15(20)12-5-4-8-17-14(12)16/h4-9H,1-3H3,(H,18,20).
What are the key properties of 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide?
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 115376771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).