N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide

C10H12N4O2 — CID 135460521

IUPACN-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide
SMILESCC(=N/O)/C(C)=N\NC(=O)c1ccccn1
InChIInChI=1S/C10H12N4O2/c1-7(8(2)14-16)12-13-10(15)9-5-3-4-6-11-9/h3-6,16H,1-2H3,(H,13,15)/b12-7-,14-8-
InChIKeyVNRYUSQMRVJBRN-FFNMSDODSA-N
MW220.23 g/mol
LogP1.04
Rot. Bonds3

About N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide

N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide (PubChem CID 135460521) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide
PubChem CID135460521
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide
SMILESCC(=N/O)/C(C)=N\NC(=O)c1ccccn1
InChIInChI=1S/C10H12N4O2/c1-7(8(2)14-16)12-13-10(15)9-5-3-4-6-11-9/h3-6,16H,1-2H3,(H,13,15)/b12-7-,14-8-
InChIKeyVNRYUSQMRVJBRN-FFNMSDODSA-N
XLogP1.04
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

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N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide
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N-(dimethylaminomethylideneamino)pyridine-2-carboxamide
CID 174940489
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
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N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
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N-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide
CID 89394295
N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 768102

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide (CID 135460521) is N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide is CC(=N/O)/C(C)=N\NC(=O)c1ccccn1.
What is the InChIKey of N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide?
The InChIKey is VNRYUSQMRVJBRN-FFNMSDODSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7(8(2)14-16)12-13-10(15)9-5-3-4-6-11-9/h3-6,16H,1-2H3,(H,13,15)/b12-7-,14-8-.
What are the key properties of N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide?
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide is sourced from PubChem (CID 135460521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).