4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide

C15H16ClN3O — CID 62978573

IUPAC4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1cc(N)ccn1
InChIInChI=1S/C15H16ClN3O/c1-10(11-4-3-5-12(16)8-11)19(2)15(20)14-9-13(17)6-7-18-14/h3-10H,1-2H3,(H2,17,18)
InChIKeyGZYTZJLDXYAJGJ-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.15
Rot. Bonds3

About 4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide

4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide (PubChem CID 62978573) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
PubChem CID62978573
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1cc(N)ccn1
InChIInChI=1S/C15H16ClN3O/c1-10(11-4-3-5-12(16)8-11)19(2)15(20)14-9-13(17)6-7-18-14/h3-10H,1-2H3,(H2,17,18)
InChIKeyGZYTZJLDXYAJGJ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
CID 62978753
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62978574
N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide
CID 47161938
4-amino-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 55041564
3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 61139721
6-amino-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62728769
2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621554
N-[1-(3-aminophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63024056
2-amino-6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzamide
CID 63659864
3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea
CID 62985968
3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
CID 61139880
4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66123414

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide (CID 62978573) is 4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide is CC(c1cccc(Cl)c1)N(C)C(=O)c1cc(N)ccn1.
What is the InChIKey of 4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is GZYTZJLDXYAJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10(11-4-3-5-12(16)8-11)19(2)15(20)14-9-13(17)6-7-18-14/h3-10H,1-2H3,(H2,17,18).
What are the key properties of 4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide?
4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 62978573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).