3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one

C10H15N3O — CID 164645013

IUPAC3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one
SMILESCC(C)=CCNc1cc[nH]c(=O)c1N
InChIInChI=1S/C10H15N3O/c1-7(2)3-5-12-8-4-6-13-10(14)9(8)11/h3-4,6H,5,11H2,1-2H3,(H2,12,13,14)
InChIKeyOWWXQEJKQMSKES-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.34
Rot. Bonds3

About 3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one

3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one (PubChem CID 164645013) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one
PubChem CID164645013
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one
SMILESCC(C)=CCNc1cc[nH]c(=O)c1N
InChIInChI=1S/C10H15N3O/c1-7(2)3-5-12-8-4-6-13-10(14)9(8)11/h3-4,6H,5,11H2,1-2H3,(H2,12,13,14)
InChIKeyOWWXQEJKQMSKES-UHFFFAOYSA-N
XLogP1.34
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182311
4-bromo-1-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182111
6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one
CID 136987739
3-amino-4-(3-methylbut-2-enylamino)benzamide
CID 106182418
2-iodo-1-N-(3-methylbut-2-enyl)benzene-1,4-diamine
CID 106182064
4-fluoro-1-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182061
5-N-(3-methylbut-2-enyl)isoquinoline-5,8-diamine
CID 114155060
6-amino-2-(3-methylbut-2-enylamino)-3H-quinazolin-4-one
CID 136987740
5-bromo-2-(3-methylbut-2-enylamino)benzonitrile
CID 103525231
3-amino-4-[(Z)-2-methylbut-1-enoxy]-1H-pyridin-2-one
CID 167253500
4-bromo-2-(3-methylbut-2-enylamino)benzoic acid
CID 56648168
3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
CID 114155053

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one?
The IUPAC name of 3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one (CID 164645013) is 3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one is CC(C)=CCNc1cc[nH]c(=O)c1N.
What is the InChIKey of 3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one?
The InChIKey is OWWXQEJKQMSKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)3-5-12-8-4-6-13-10(14)9(8)11/h3-4,6H,5,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one?
3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one is sourced from PubChem (CID 164645013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).