5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide

C15H16ClN3O — CID 114921935

IUPAC5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(NC)ncc2Cl)cc1
InChIInChI=1S/C15H16ClN3O/c1-3-10-4-6-11(7-5-10)19-15(20)12-8-14(17-2)18-9-13(12)16/h4-9H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyNBMASJXEYDKXGK-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.59
Rot. Bonds4

About 5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114921935) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID114921935
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(NC)ncc2Cl)cc1
InChIInChI=1S/C15H16ClN3O/c1-3-10-4-6-11(7-5-10)19-15(20)12-8-14(17-2)18-9-13(12)16/h4-9H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyNBMASJXEYDKXGK-UHFFFAOYSA-N
XLogP3.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3,4-dichlorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921560
N-(3-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114924481
5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114922855
3-chloro-N-(4-ethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62167458
5-chloro-N-(4-fluoro-3-methoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924828
5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114923271
2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide
CID 114922194
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide
CID 103891458
5-chloro-N-(3-chloro-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 103094800
5-chloro-N-(2-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921898
N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114921871

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide (CID 114921935) is 5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide is CCc1ccc(NC(=O)c2cc(NC)ncc2Cl)cc1.
What is the InChIKey of 5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is NBMASJXEYDKXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-3-10-4-6-11(7-5-10)19-15(20)12-8-14(17-2)18-9-13(12)16/h4-9H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114921935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).