N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide

C12H16N4O2 — CID 54997157

IUPACN-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide
SMILESN/C(CCN(C(=O)c1ccncc1)C1CC1)=N/O
InChIInChI=1S/C12H16N4O2/c13-11(15-18)5-8-16(10-1-2-10)12(17)9-3-6-14-7-4-9/h3-4,6-7,10,18H,1-2,5,8H2,(H2,13,15)
InChIKeyHSKLXLLPDFUILD-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.82
Rot. Bonds5

About N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide

N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide (PubChem CID 54997157) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide
PubChem CID54997157
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide
SMILESN/C(CCN(C(=O)c1ccncc1)C1CC1)=N/O
InChIInChI=1S/C12H16N4O2/c13-11(15-18)5-8-16(10-1-2-10)12(17)9-3-6-14-7-4-9/h3-4,6-7,10,18H,1-2,5,8H2,(H2,13,15)
InChIKeyHSKLXLLPDFUILD-UHFFFAOYSA-N
XLogP0.82
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide?
The IUPAC name of N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide (CID 54997157) is N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide.
What is the SMILES notation for N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide?
The canonical SMILES for N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide is N/C(CCN(C(=O)c1ccncc1)C1CC1)=N/O.
What is the InChIKey of N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide?
The InChIKey is HSKLXLLPDFUILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-11(15-18)5-8-16(10-1-2-10)12(17)9-3-6-14-7-4-9/h3-4,6-7,10,18H,1-2,5,8H2,(H2,13,15).
What are the key properties of N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide?
N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide is sourced from PubChem (CID 54997157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).