2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide

C16H18ClN3O — CID 62172549

IUPAC2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(C)c2ccccc2)cc(Cl)n1
InChIInChI=1S/C16H18ClN3O/c1-3-9-18-15-11-12(10-14(17)19-15)16(21)20(2)13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H,18,19)
InChIKeyUTHKQHYOLWMPFZ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.83
Rot. Bonds5

About 2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide

2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide (PubChem CID 62172549) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide
PubChem CID62172549
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(C)c2ccccc2)cc(Cl)n1
InChIInChI=1S/C16H18ClN3O/c1-3-9-18-15-11-12(10-14(17)19-15)16(21)20(2)13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H,18,19)
InChIKeyUTHKQHYOLWMPFZ-UHFFFAOYSA-N
XLogP3.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.83
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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Related Compounds

2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide
CID 62168778
2-chloro-N,N-bis(cyanomethyl)-6-(propylamino)pyridine-4-carboxamide
CID 62184912
2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide
CID 62171490
2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 62175591
2-chloro-6-hydrazinyl-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 62249266
N-methyl-N-phenyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271049
2-chloro-N-(2-methylsulfanylethyl)-6-(propylamino)pyridine-4-carboxamide
CID 63963791
N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331
2-chloro-6-(propylamino)pyridine-4-carbonyl azide
CID 90872001
2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 65042532
N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62175245
2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide
CID 104765513

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide (CID 62172549) is 2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)N(C)c2ccccc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide?
The InChIKey is UTHKQHYOLWMPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-9-18-15-11-12(10-14(17)19-15)16(21)20(2)13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide?
2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62172549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).