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

C16H19N3O2 — CID 60857697

IUPAC2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide
SMILESCOc1ncccc1CNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H19N3O2/c1-21-16-13(8-5-9-18-16)11-19-15(20)14(17)10-12-6-3-2-4-7-12/h2-9,14H,10-11,17H2,1H3,(H,19,20)
InChIKeyUXKQJVCOXXKCEZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.28
Rot. Bonds6

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

2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide (PubChem CID 60857697) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide
PubChem CID60857697
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide
SMILESCOc1ncccc1CNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H19N3O2/c1-21-16-13(8-5-9-18-16)11-19-15(20)14(17)10-12-6-3-2-4-7-12/h2-9,14H,10-11,17H2,1H3,(H,19,20)
InChIKeyUXKQJVCOXXKCEZ-UHFFFAOYSA-N
XLogP1.28
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide
CID 54927008
(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 79012949
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119869371
(2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 56741172
N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
CID 56832236
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide
CID 104941410
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 47035760

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide (CID 60857697) is 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide is COc1ncccc1CNC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide?
The InChIKey is UXKQJVCOXXKCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-16-13(8-5-9-18-16)11-19-15(20)14(17)10-12-6-3-2-4-7-12/h2-9,14H,10-11,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide?
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide has a molecular weight of 285.35 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 60857697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).