N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide

C11H16N4O3 — CID 114039230

IUPACN-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCC(NC(=O)c1c[nH]ccc1=O)/C(N)=N/O
InChIInChI=1S/C11H16N4O3/c1-2-3-8(10(12)15-18)14-11(17)7-6-13-5-4-9(7)16/h4-6,8,18H,2-3H2,1H3,(H2,12,15)(H,13,16)(H,14,17)
InChIKeySBZBXCPOOSLAKK-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.02
Rot. Bonds5

About N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide

N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 114039230) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID114039230
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCC(NC(=O)c1c[nH]ccc1=O)/C(N)=N/O
InChIInChI=1S/C11H16N4O3/c1-2-3-8(10(12)15-18)14-11(17)7-6-13-5-4-9(7)16/h4-6,8,18H,2-3H2,1H3,(H2,12,15)(H,13,16)(H,14,17)
InChIKeySBZBXCPOOSLAKK-UHFFFAOYSA-N
XLogP0.02
TPSA120.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.02
H-Bond Donors ≤ 54
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'}

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Related Compounds

N-(1-amino-1-hydroxyiminopentan-2-yl)-2,3,4-trifluorobenzamide
CID 79754946
5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 114038720
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide
CID 107705570
(2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 114038684
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide
CID 113439447
N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 106152482
N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide
CID 77060505
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337657
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide
CID 107356568
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 61399930
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide
CID 76977889
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide
CID 77069364

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide (CID 114039230) is N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide is CCCC(NC(=O)c1c[nH]ccc1=O)/C(N)=N/O.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SBZBXCPOOSLAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-3-8(10(12)15-18)14-11(17)7-6-13-5-4-9(7)16/h4-6,8,18H,2-3H2,1H3,(H2,12,15)(H,13,16)(H,14,17).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide?
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 0.02, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114039230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).