6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxamide

C10H13N5O3 — CID 146295176

IUPAC6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxamide
SMILESNC/C=C/CNc1ncc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N5O3/c11-3-1-2-4-13-10-8(15(17)18)5-7(6-14-10)9(12)16/h1-2,5-6H,3-4,11H2,(H2,12,16)(H,13,14)/b2-1+
InChIKeyKMODTVVRNOYFJP-OWOJBTEDSA-N
MW251.25 g/mol
LogP0.02
Rot. Bonds6

About 6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxamide

6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxamide (PubChem CID 146295176) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxamide
PubChem CID146295176
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxamide
SMILESNC/C=C/CNc1ncc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N5O3/c11-3-1-2-4-13-10-8(15(17)18)5-7(6-14-10)9(12)16/h1-2,5-6H,3-4,11H2,(H2,12,16)(H,13,14)/b2-1+
InChIKeyKMODTVVRNOYFJP-OWOJBTEDSA-N
XLogP0.02
TPSA137.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-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

methyl 6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxylate;methyl 6-[[(E)-6-[(2-methylpropan-2-yl)oxy]-6-oxohex-2-enyl]amino]-5-nitropyridine-3-carboxylate;trihydrochloride
CID 157310695
6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid
CID 81437835
6-[(5-amino-5-oxopentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 106237764
6-hydrazinyl-5-nitropyridine-3-carboxylic acid
CID 82862825
6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid
CID 81438118
6-[(4-methylphenyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81442087
6-[(4-chlorophenyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81442231
6-[(2-ethoxy-2-methylpropyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114942695
6-(tert-butylamino)-5-nitropyridine-3-carboxylic acid
CID 80502721
5-[[(E)-4-aminobut-2-enyl]amino]-2-nitrobenzonitrile
CID 113414915
6-[(2-hydroxycyclohexyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81448011
methyl 6-[(3,5-difluorophenyl)methylamino]-5-nitropyridine-3-carboxylate
CID 24903377

Frequently Asked Questions

What is the IUPAC name of 6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxamide?
The IUPAC name of 6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxamide (CID 146295176) is 6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxamide is NC/C=C/CNc1ncc(C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxamide?
The InChIKey is KMODTVVRNOYFJP-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H13N5O3/c11-3-1-2-4-13-10-8(15(17)18)5-7(6-14-10)9(12)16/h1-2,5-6H,3-4,11H2,(H2,12,16)(H,13,14)/b2-1+.
What are the key properties of 6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxamide?
6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxamide has a molecular weight of 251.25 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(E)-4-aminobut-2-enyl]amino]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 146295176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).