N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide

C14H13N3O2 — CID 24698005

IUPACN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
SMILESC/C(=N\O)c1ccccc1NC(=O)c1ccncc1
InChIInChI=1S/C14H13N3O2/c1-10(17-19)12-4-2-3-5-13(12)16-14(18)11-6-8-15-9-7-11/h2-9,19H,1H3,(H,16,18)/b17-10+
InChIKeyOUQPGTRPGMBHAO-LICLKQGHSA-N
MW255.28 g/mol
LogP2.53
Rot. Bonds3

About N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide

N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide (PubChem CID 24698005) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
PubChem CID24698005
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
SMILESC/C(=N\O)c1ccccc1NC(=O)c1ccncc1
InChIInChI=1S/C14H13N3O2/c1-10(17-19)12-4-2-3-5-13(12)16-14(18)11-6-8-15-9-7-11/h2-9,19H,1H3,(H,16,18)/b17-10+
InChIKeyOUQPGTRPGMBHAO-LICLKQGHSA-N
XLogP2.53
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054716
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24689515
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dimethylbenzamide
CID 24708814
2-benzamido-N-pyridin-4-ylbenzamide
CID 730926
N-(2-methylsulfanylphenyl)pyridine-4-carboxamide
CID 1244343
N-(2-bromophenyl)pyridine-4-carboxamide
CID 882176
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 77115179
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
N-[5-(pyridine-4-carbonylamino)naphthalen-1-yl]pyridine-4-carboxamide
CID 101437440
N-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 66637366
2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide
CID 43185521

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide (CID 24698005) is N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide is C/C(=N\O)c1ccccc1NC(=O)c1ccncc1.
What is the InChIKey of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is OUQPGTRPGMBHAO-LICLKQGHSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-10(17-19)12-4-2-3-5-13(12)16-14(18)11-6-8-15-9-7-11/h2-9,19H,1H3,(H,16,18)/b17-10+.
What are the key properties of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 24698005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).