N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide

C15H15N3O2 — CID 39279397

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(CC(N)=O)cc2)n1
InChIInChI=1S/C15H15N3O2/c1-10-3-2-4-13(17-10)15(20)18-12-7-5-11(6-8-12)9-14(16)19/h2-8H,9H2,1H3,(H2,16,19)(H,18,20)
InChIKeyKAAIKVSMCBUWLD-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.67
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide

N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide (PubChem CID 39279397) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide
PubChem CID39279397
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(CC(N)=O)cc2)n1
InChIInChI=1S/C15H15N3O2/c1-10-3-2-4-13(17-10)15(20)18-12-7-5-11(6-8-12)9-14(16)19/h2-8H,9H2,1H3,(H2,16,19)(H,18,20)
InChIKeyKAAIKVSMCBUWLD-UHFFFAOYSA-N
XLogP1.67
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide
CID 62233473
6-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 60727200
N-(4-aminophenyl)-6-methylpyridine-2-carboxamide
CID 16784436
N-(4-iodophenyl)-6-methylpyridine-2-carboxamide
CID 31777667
6-N-(4-ethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100178
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
N-[4-(methanesulfonamido)phenyl]-6-methylpyridine-2-carboxamide
CID 32696107
6-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097523
N-[3-(aminomethyl)-4-ethoxyphenyl]-6-methylpyridine-2-carboxamide
CID 63755297
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211
N-(6-bromo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 103789394

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide (CID 39279397) is N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2ccc(CC(N)=O)cc2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide?
The InChIKey is KAAIKVSMCBUWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-3-2-4-13(17-10)15(20)18-12-7-5-11(6-8-12)9-14(16)19/h2-8H,9H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 39279397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).