N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide

C13H19N3O — CID 109180426

IUPACN-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccc(C(=O)NC(C)CC)nc1
InChIInChI=1S/C13H19N3O/c1-4-8-14-11-6-7-12(15-9-11)13(17)16-10(3)5-2/h4,6-7,9-10,14H,1,5,8H2,2-3H3,(H,16,17)
InChIKeyTXSQEHCGRVPHBM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds6

About N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide

N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide (PubChem CID 109180426) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide
PubChem CID109180426
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccc(C(=O)NC(C)CC)nc1
InChIInChI=1S/C13H19N3O/c1-4-8-14-11-6-7-12(15-9-11)13(17)16-10(3)5-2/h4,6-7,9-10,14H,1,5,8H2,2-3H3,(H,16,17)
InChIKeyTXSQEHCGRVPHBM-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'}

Analyze N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide
CID 109180814
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180529
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109181397
5-(ethylamino)-N-hexan-2-ylpyridine-2-carboxamide
CID 113436154
5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109181691
N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180434
N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide
CID 109181549
N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180618
N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180619

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide (CID 109180426) is N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide is C=CCNc1ccc(C(=O)NC(C)CC)nc1.
What is the InChIKey of N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide?
The InChIKey is TXSQEHCGRVPHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-8-14-11-6-7-12(15-9-11)13(17)16-10(3)5-2/h4,6-7,9-10,14H,1,5,8H2,2-3H3,(H,16,17).
What are the key properties of N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide?
N-butan-2-yl-5-(prop-2-enylamino)pyridine-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 N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109180426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).