4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide

C15H17N3O — CID 55041957

IUPAC4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(N)ccn2)cc1
InChIInChI=1S/C15H17N3O/c1-10-3-5-12(6-4-10)11(2)18-15(19)14-9-13(16)7-8-17-14/h3-9,11H,1-2H3,(H2,16,17)(H,18,19)
InChIKeyDDRJQCKYMMBDKW-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.46
Rot. Bonds3

About 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide

4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 55041957) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID55041957
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(N)ccn2)cc1
InChIInChI=1S/C15H17N3O/c1-10-3-5-12(6-4-10)11(2)18-15(19)14-9-13(16)7-8-17-14/h3-9,11H,1-2H3,(H2,16,17)(H,18,19)
InChIKeyDDRJQCKYMMBDKW-UHFFFAOYSA-N
XLogP2.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47161139
4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210681
5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 47161122
2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 103754299
4-amino-N-(6-methylheptan-2-yl)pyridine-2-carboxamide
CID 55041915
5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 62954039
5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244492
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924
4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81240748
4-amino-N-methoxypyridine-2-carboxamide
CID 170972703
4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 60739451
3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 142046009

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide (CID 55041957) is 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide is Cc1ccc(C(C)NC(=O)c2cc(N)ccn2)cc1.
What is the InChIKey of 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is DDRJQCKYMMBDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-3-5-12(6-4-10)11(2)18-15(19)14-9-13(16)7-8-17-14/h3-9,11H,1-2H3,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 55041957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).