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

C17H21N3O — CID 114955951

IUPAC2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide
SMILESCc1ccncc1CNC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C17H21N3O/c1-13-9-10-19-11-15(13)12-20-17(21)16(18)8-7-14-5-3-2-4-6-14/h2-6,9-11,16H,7-8,12,18H2,1H3,(H,20,21)
InChIKeyNZEPCVXVDIEEDR-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.97
Rot. Bonds6

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

2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide (PubChem CID 114955951) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide
PubChem CID114955951
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide
SMILESCc1ccncc1CNC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C17H21N3O/c1-13-9-10-19-11-15(13)12-20-17(21)16(18)8-7-14-5-3-2-4-6-14/h2-6,9-11,16H,7-8,12,18H2,1H3,(H,20,21)
InChIKeyNZEPCVXVDIEEDR-UHFFFAOYSA-N
XLogP1.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.97
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]-3-phenylpropanamide
CID 104941410
(2S)-2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylbutanamide
CID 106047350
2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide
CID 114924929
(2S)-2-amino-N-[(2-bromophenyl)methyl]-4-phenylbutanamide
CID 104984212
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
(2S)-2-amino-N-(1H-imidazol-5-ylmethyl)-4-phenylbutanamide
CID 104984531
(2S)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-4-methylsulfanylbutanamide
CID 104941423
2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide
CID 114927077
2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide
CID 114955965
2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 114927829
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-2-phenylacetamide
CID 104941421

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide?
The IUPAC name of 2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide (CID 114955951) is 2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide is Cc1ccncc1CNC(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide?
The InChIKey is NZEPCVXVDIEEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-9-10-19-11-15(13)12-20-17(21)16(18)8-7-14-5-3-2-4-6-14/h2-6,9-11,16H,7-8,12,18H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide?
2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide has a molecular weight of 283.38 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 114955951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).