N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide

C9H11ClN4O2 — CID 77135183

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1Cl)C(N)=NO
InChIInChI=1S/C9H11ClN4O2/c1-5(8(11)14-16)13-9(15)6-2-3-12-4-7(6)10/h2-5,16H,1H3,(H2,11,14)(H,13,15)
InChIKeyYHCVVNCGZRXRES-UHFFFAOYSA-N
MW242.67 g/mol
LogP0.60
Rot. Bonds3

About N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide (PubChem CID 77135183) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide
PubChem CID77135183
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1Cl)C(N)=NO
InChIInChI=1S/C9H11ClN4O2/c1-5(8(11)14-16)13-9(15)6-2-3-12-4-7(6)10/h2-5,16H,1H3,(H2,11,14)(H,13,15)
InChIKeyYHCVVNCGZRXRES-UHFFFAOYSA-N
XLogP0.60
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 50.60
H-Bond Donors ≤ 53
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-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-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

Related Compounds

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135153
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 66484526
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 113246489
3-chloro-N-propan-2-yloxypyridine-4-carboxamide
CID 131031569
(2S,3R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964857
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115
3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide
CID 115667153
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide
CID 106689262
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
CID 131186254

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide (CID 77135183) is N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide is CC(NC(=O)c1ccncc1Cl)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide?
The InChIKey is YHCVVNCGZRXRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c1-5(8(11)14-16)13-9(15)6-2-3-12-4-7(6)10/h2-5,16H,1H3,(H2,11,14)(H,13,15).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide has a molecular weight of 242.67 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 77135183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).