2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide

C16H19N3O — CID 118638719

IUPAC2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NCc2ccccc2)nc1
InChIInChI=1S/C16H19N3O/c1-12-8-9-15(18-10-12)19-16(20)13(2)17-11-14-6-4-3-5-7-14/h3-10,13,17H,11H2,1-2H3,(H,18,19,20)
InChIKeyXSMDGSDHAYXQOQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.51
Rot. Bonds5

About 2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide

2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 118638719) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID118638719
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NCc2ccccc2)nc1
InChIInChI=1S/C16H19N3O/c1-12-8-9-15(18-10-12)19-16(20)13(2)17-11-14-6-4-3-5-7-14/h3-10,13,17H,11H2,1-2H3,(H,18,19,20)
InChIKeyXSMDGSDHAYXQOQ-UHFFFAOYSA-N
XLogP2.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(5-methyl-2-pyridinyl)-2-phenylmethoxypropanamide
CID 51941390
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide
CID 3419355
(2S)-2-amino-N-(5-methyl-2-pyridinyl)propanamide
CID 61147752
(2R)-2-amino-N-(5-methyl-2-pyridinyl)-2-phenylacetamide
CID 61148111
N-(5-methyl-2-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 60841992
2-(2-benzylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 60521789
(2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 8002682
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide
CID 23801442
N'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide
CID 44997210
N-(5-methyl-2-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 60543327

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide (CID 118638719) is 2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)C(C)NCc2ccccc2)nc1.
What is the InChIKey of 2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is XSMDGSDHAYXQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-8-9-15(18-10-12)19-16(20)13(2)17-11-14-6-4-3-5-7-14/h3-10,13,17H,11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide?
2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 269.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 118638719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).