N-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide

C13H14N4O2 — CID 57208281

IUPACN-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide
SMILESCN(O)N(Nc1ccccc1)C(=O)c1ccncc1
InChIInChI=1S/C13H14N4O2/c1-16(19)17(15-12-5-3-2-4-6-12)13(18)11-7-9-14-10-8-11/h2-10,15,19H,1H3
InChIKeyIHXWRBCRUBRQPC-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.79
Rot. Bonds4

About N-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide

N-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide (PubChem CID 57208281) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide
PubChem CID57208281
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide
SMILESCN(O)N(Nc1ccccc1)C(=O)c1ccncc1
InChIInChI=1S/C13H14N4O2/c1-16(19)17(15-12-5-3-2-4-6-12)13(18)11-7-9-14-10-8-11/h2-10,15,19H,1H3
InChIKeyIHXWRBCRUBRQPC-UHFFFAOYSA-N
XLogP1.79
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one
CID 11064487
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17230224
N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyridine-4-carboxamide
CID 32730765
N'-anilino-N-phenyliminopyridine-4-carboximidamide
CID 91732185
N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide
CID 60571084
benzamide;pyridine-4-carboxamide
CID 175267661
N-propan-2-yl-N-pyridin-4-ylbenzamide
CID 11042850
benzamide;pyrazine
CID 67119172
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
[methyl(pyridine-4-carbonyl)amino]thiourea
CID 91311342
(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 14933591

Frequently Asked Questions

What is the IUPAC name of N-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide?
The IUPAC name of N-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide (CID 57208281) is N-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide?
The canonical SMILES for N-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide is CN(O)N(Nc1ccccc1)C(=O)c1ccncc1.
What is the InChIKey of N-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide?
The InChIKey is IHXWRBCRUBRQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-16(19)17(15-12-5-3-2-4-6-12)13(18)11-7-9-14-10-8-11/h2-10,15,19H,1H3.
What are the key properties of N-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide?
N-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 57208281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).