3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide

C10H13N3O — CID 114617075

IUPAC3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
SMILESC=C(C)CNC(=O)c1ncccc1N
InChIInChI=1S/C10H13N3O/c1-7(2)6-13-10(14)9-8(11)4-3-5-12-9/h3-5H,1,6,11H2,2H3,(H,13,14)
InChIKeyHBXPWAKOZJCUOE-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.97
Rot. Bonds3

About 3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide

3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide (PubChem CID 114617075) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
PubChem CID114617075
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
SMILESC=C(C)CNC(=O)c1ncccc1N
InChIInChI=1S/C10H13N3O/c1-7(2)6-13-10(14)9-8(11)4-3-5-12-9/h3-5H,1,6,11H2,2H3,(H,13,14)
InChIKeyHBXPWAKOZJCUOE-UHFFFAOYSA-N
XLogP0.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide
CID 114618776
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 104741062
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide
CID 130551892
3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 104742724
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127
3-amino-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
CID 104742439
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
CID 114618909

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide (CID 114617075) is 3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide is C=C(C)CNC(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide?
The InChIKey is HBXPWAKOZJCUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(2)6-13-10(14)9-8(11)4-3-5-12-9/h3-5H,1,6,11H2,2H3,(H,13,14).
What are the key properties of 3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide?
3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide is sourced from PubChem (CID 114617075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).