(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide

C16H19N3O — CID 104941410

IUPAC(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide
SMILESCc1cnccc1CNC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C16H19N3O/c1-12-10-18-8-7-14(12)11-19-16(20)15(17)9-13-5-3-2-4-6-13/h2-8,10,15H,9,11,17H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyRCZDTOAZLGTRDV-OAHLLOKOSA-N
MW269.35 g/mol
LogP1.58
Rot. Bonds5

About (2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide

(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide (PubChem CID 104941410) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide
PubChem CID104941410
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide
SMILESCc1cnccc1CNC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C16H19N3O/c1-12-10-18-8-7-14(12)11-19-16(20)15(17)9-13-5-3-2-4-6-13/h2-8,10,15H,9,11,17H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyRCZDTOAZLGTRDV-OAHLLOKOSA-N
XLogP1.58
TPSA68.01 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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-4-phenylbutanamide
CID 166260300
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-2-phenylacetamide
CID 104941421
(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 104941409
2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide
CID 114955951
(2S)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-4-methylsulfanylbutanamide
CID 104941423
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119869371
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide
CID 60857697
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119835445
4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 5049229
(2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 103814799

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide (CID 104941410) is (2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide is Cc1cnccc1CNC(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide?
The InChIKey is RCZDTOAZLGTRDV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-10-18-8-7-14(12)11-19-16(20)15(17)9-13-5-3-2-4-6-13/h2-8,10,15H,9,11,17H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide?
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide has a molecular weight of 269.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 104941410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).