1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone

C9H12N2O2 — CID 116601798

IUPAC1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone
SMILESCOCC(=O)c1ccnc(CN)c1
InChIInChI=1S/C9H12N2O2/c1-13-6-9(12)7-2-3-11-8(4-7)5-10/h2-4H,5-6,10H2,1H3
InChIKeyHJUXPVYMPBSHRS-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.37
Rot. Bonds4

About 1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone

1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone (PubChem CID 116601798) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone
PubChem CID116601798
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone
SMILESCOCC(=O)c1ccnc(CN)c1
InChIInChI=1S/C9H12N2O2/c1-13-6-9(12)7-2-3-11-8(4-7)5-10/h2-4H,5-6,10H2,1H3
InChIKeyHJUXPVYMPBSHRS-UHFFFAOYSA-N
XLogP0.37
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)-4-pyridinyl]-2-propoxyethanone
CID 116601901
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 114325701
2-(aminomethyl)pyridine-4-carboxamide;hydrochloride
CID 135395084
tert-butyl 2-(aminomethyl)pyridine-4-carboxylate
CID 114325005
1-[2-(aminomethyl)-4-pyridinyl]hex-4-yn-1-one
CID 116602000
2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 113277873
1-[2-(aminomethyl)-4-pyridinyl]-2-methylprop-2-en-1-one
CID 116601826
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 114326285
2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide
CID 113277862
1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone
CID 105412051
1-[2-(aminomethyl)-4-pyridinyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116601831

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone?
The IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone (CID 116601798) is 1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone?
The canonical SMILES for 1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone is COCC(=O)c1ccnc(CN)c1.
What is the InChIKey of 1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone?
The InChIKey is HJUXPVYMPBSHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-6-9(12)7-2-3-11-8(4-7)5-10/h2-4H,5-6,10H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone?
1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone has a molecular weight of 180.21 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone is sourced from PubChem (CID 116601798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).