2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide

C16H19N3O2 — CID 60711152

IUPAC2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide
SMILESCOc1ccc(CNC(C)C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C16H19N3O2/c1-12(16(20)19-14-6-4-3-5-7-14)17-10-13-8-9-15(21-2)18-11-13/h3-9,11-12,17H,10H2,1-2H3,(H,19,20)
InChIKeyPSILQNOMWKGHKL-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.21
Rot. Bonds6

About 2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide

2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide (PubChem CID 60711152) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide
PubChem CID60711152
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide
SMILESCOc1ccc(CNC(C)C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C16H19N3O2/c1-12(16(20)19-14-6-4-3-5-7-14)17-10-13-8-9-15(21-2)18-11-13/h3-9,11-12,17H,10H2,1-2H3,(H,19,20)
InChIKeyPSILQNOMWKGHKL-UHFFFAOYSA-N
XLogP2.21
TPSA63.25 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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 60711228
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
CID 26245375
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 62992130
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate
CID 104578651
N-[(6-methoxy-3-pyridinyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51306230
(2R)-N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]propanamide
CID 9322127

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide (CID 60711152) is 2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide is COc1ccc(CNC(C)C(=O)Nc2ccccc2)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide?
The InChIKey is PSILQNOMWKGHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(16(20)19-14-6-4-3-5-7-14)17-10-13-8-9-15(21-2)18-11-13/h3-9,11-12,17H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide?
2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide has a molecular weight of 285.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide is sourced from PubChem (CID 60711152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).