3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide

C10H15N3O2 — CID 107017642

IUPAC3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide
SMILESCNC(=O)CCn1cccc(CN)c1=O
InChIInChI=1S/C10H15N3O2/c1-12-9(14)4-6-13-5-2-3-8(7-11)10(13)15/h2-3,5H,4,6-7,11H2,1H3,(H,12,14)
InChIKeyBOHCNRIHJBFTIL-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.56
Rot. Bonds4

About 3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide

3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide (PubChem CID 107017642) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide
PubChem CID107017642
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide
SMILESCNC(=O)CCn1cccc(CN)c1=O
InChIInChI=1S/C10H15N3O2/c1-12-9(14)4-6-13-5-2-3-8(7-11)10(13)15/h2-3,5H,4,6-7,11H2,1H3,(H,12,14)
InChIKeyBOHCNRIHJBFTIL-UHFFFAOYSA-N
XLogP-0.56
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-1-(3-methylbutyl)pyridin-2-one
CID 82186492
N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide
CID 66402331
3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one
CID 107017511
N-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide
CID 130571190
3-(aminomethyl)-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
CID 107017612
3-(aminomethyl)-1-prop-2-enylpyridin-2-one
CID 82502852
2-(3-hydroxy-2-oxo-1-pyridinyl)-N-methylacetamide
CID 13336732
2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 107017585
2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]ethyl carbamate
CID 175409898
N-methyl-3-[2-(2-oxo-1-pyridinyl)ethylamino]propanamide
CID 82897118
N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide
CID 116624987
N-(3-aminophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
CID 63172233

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide?
The IUPAC name of 3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide (CID 107017642) is 3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide.
What is the SMILES notation for 3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide?
The canonical SMILES for 3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide is CNC(=O)CCn1cccc(CN)c1=O.
What is the InChIKey of 3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide?
The InChIKey is BOHCNRIHJBFTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-9(14)4-6-13-5-2-3-8(7-11)10(13)15/h2-3,5H,4,6-7,11H2,1H3,(H,12,14).
What are the key properties of 3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide?
3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide has a molecular weight of 209.25 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide is sourced from PubChem (CID 107017642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).