2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide

C15H16ClN3O — CID 62161111

IUPAC2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2cc(N)nc(Cl)c2)cc1
InChIInChI=1S/C15H16ClN3O/c1-3-10-4-6-12(7-5-10)19(2)15(20)11-8-13(16)18-14(17)9-11/h4-9H,3H2,1-2H3,(H2,17,18)
InChIKeyPEOHIKUZKZZARP-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.16
Rot. Bonds3

About 2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide

2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide (PubChem CID 62161111) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
PubChem CID62161111
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2cc(N)nc(Cl)c2)cc1
InChIInChI=1S/C15H16ClN3O/c1-3-10-4-6-12(7-5-10)19(2)15(20)11-8-13(16)18-14(17)9-11/h4-9H,3H2,1-2H3,(H2,17,18)
InChIKeyPEOHIKUZKZZARP-UHFFFAOYSA-N
XLogP3.16
TPSA59.22 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 ≤ 53.16
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

N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 61062805
N-(4-ethylphenyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728488
3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide
CID 62003107
6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide
CID 114035324
5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide
CID 62001590
3-amino-N-(4-ethylphenyl)-5-methoxy-N-methylbenzamide
CID 81093516
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62155974
3-amino-N-(4-ethylphenyl)-4-methoxy-N-methylbenzamide
CID 62004047
2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide
CID 43090842
2-chloro-6-hydrazinyl-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 62249266

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide (CID 62161111) is 2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide is CCc1ccc(N(C)C(=O)c2cc(N)nc(Cl)c2)cc1.
What is the InChIKey of 2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide?
The InChIKey is PEOHIKUZKZZARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-3-10-4-6-12(7-5-10)19(2)15(20)11-8-13(16)18-14(17)9-11/h4-9H,3H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide?
2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 62161111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).