5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide

C15H17ClN4O — CID 114406497

IUPAC5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)c1nc(C(N)=O)ccc1N
InChIInChI=1S/C15H17ClN4O/c1-9(10-4-3-5-11(16)8-10)20(2)15-12(17)6-7-13(19-15)14(18)21/h3-9H,17H2,1-2H3,(H2,18,21)
InChIKeyWEFMTGUJDHYKQM-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.61
Rot. Bonds4

About 5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide

5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide (PubChem CID 114406497) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide
PubChem CID114406497
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)c1nc(C(N)=O)ccc1N
InChIInChI=1S/C15H17ClN4O/c1-9(10-4-3-5-11(16)8-10)20(2)15-12(17)6-7-13(19-15)14(18)21/h3-9H,17H2,1-2H3,(H2,18,21)
InChIKeyWEFMTGUJDHYKQM-UHFFFAOYSA-N
XLogP2.61
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
CID 62978753
5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide
CID 62979796
6-chloro-4-N-[1-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 47283103
3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine
CID 103078461
4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80919266
6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carbothioamide
CID 64594303
6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine
CID 62985307
5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 63537031
5-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-2-carboximidamide
CID 136990635
N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide
CID 47161938
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62978574
5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzoic acid
CID 62979618

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide (CID 114406497) is 5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide is CC(c1cccc(Cl)c1)N(C)c1nc(C(N)=O)ccc1N.
What is the InChIKey of 5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide?
The InChIKey is WEFMTGUJDHYKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-9(10-4-3-5-11(16)8-10)20(2)15-12(17)6-7-13(19-15)14(18)21/h3-9H,17H2,1-2H3,(H2,18,21).
What are the key properties of 5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide?
5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 114406497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).