2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide

C11H17N3O2 — CID 81080970

IUPAC2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCOCC(N)C(=O)N(C)Cc1ccncc1
InChIInChI=1S/C11H17N3O2/c1-14(11(15)10(12)8-16-2)7-9-3-5-13-6-4-9/h3-6,10H,7-8,12H2,1-2H3
InChIKeyIESMCJOLFCUNRO-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.01
Rot. Bonds5

About 2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide

2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 81080970) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID81080970
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCOCC(N)C(=O)N(C)Cc1ccncc1
InChIInChI=1S/C11H17N3O2/c1-14(11(15)10(12)8-16-2)7-9-3-5-13-6-4-9/h3-6,10H,7-8,12H2,1-2H3
InChIKeyIESMCJOLFCUNRO-UHFFFAOYSA-N
XLogP0.01
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-(pyridin-4-ylmethyl)butanediamide
CID 54928061
2-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-methylpropanamide
CID 81082817
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983504
methyl 3-[(2-amino-3-methoxypropanoyl)-(pyridin-4-ylmethyl)amino]propanoate;hydrochloride
CID 120992116
2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 81081754
2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81089179
2-amino-4-[methyl(pyridin-4-ylmethyl)amino]-4-oxobutanoic acid
CID 115181125
(2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631182
2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983321
(2R)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631181
2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 115187356
(2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide
CID 94155976

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide (CID 81080970) is 2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide is COCC(N)C(=O)N(C)Cc1ccncc1.
What is the InChIKey of 2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is IESMCJOLFCUNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14(11(15)10(12)8-16-2)7-9-3-5-13-6-4-9/h3-6,10H,7-8,12H2,1-2H3.
What are the key properties of 2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide?
2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 223.28 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 81080970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).