4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide

C13H19N3O — CID 109202076

IUPAC4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(NC(C)CC)ccn1
InChIInChI=1S/C13H19N3O/c1-4-7-15-13(17)12-9-11(6-8-14-12)16-10(3)5-2/h4,6,8-10H,1,5,7H2,2-3H3,(H,14,16)(H,15,17)
InChIKeyNWHZSHGGVVDZRF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds6

About 4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide

4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 109202076) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide
PubChem CID109202076
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(NC(C)CC)ccn1
InChIInChI=1S/C13H19N3O/c1-4-7-15-13(17)12-9-11(6-8-14-12)16-10(3)5-2/h4,6,8-10H,1,5,7H2,2-3H3,(H,14,16)(H,15,17)
InChIKeyNWHZSHGGVVDZRF-UHFFFAOYSA-N
XLogP2.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.21
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

4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202178
4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109203453
4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202174
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
4-(butan-2-ylamino)-N-cyclohexylpyridine-2-carboxamide
CID 109203427
N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide
CID 109203563
4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109203600
4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109203465
N-ethyl-4-(hexan-2-ylamino)pyridine-2-carboxamide
CID 62200054
N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202346

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide (CID 109202076) is 4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1cc(NC(C)CC)ccn1.
What is the InChIKey of 4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is NWHZSHGGVVDZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-7-15-13(17)12-9-11(6-8-14-12)16-10(3)5-2/h4,6,8-10H,1,5,7H2,2-3H3,(H,14,16)(H,15,17).
What are the key properties of 4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide?
4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 109202076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).