N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide

C14H14N4O2 — CID 77072600

IUPACN-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc(C(N)=NO)c2)c1
InChIInChI=1S/C14H14N4O2/c1-9-5-11(8-16-7-9)14(19)17-12-4-2-3-10(6-12)13(15)18-20/h2-8,20H,1H3,(H2,15,18)(H,17,19)
InChIKeyCMXZCDCLVAIRNP-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.74
Rot. Bonds3

About N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide

N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide (PubChem CID 77072600) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide
PubChem CID77072600
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc(C(N)=NO)c2)c1
InChIInChI=1S/C14H14N4O2/c1-9-5-11(8-16-7-9)14(19)17-12-4-2-3-10(6-12)13(15)18-20/h2-8,20H,1H3,(H2,15,18)(H,17,19)
InChIKeyCMXZCDCLVAIRNP-UHFFFAOYSA-N
XLogP1.74
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.74
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'}

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Related Compounds

4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide
CID 107586259
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 76930098
5-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 143173797
5-(N'-hydroxycarbamimidoyl)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 77005091
4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide
CID 107672423
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide
CID 43332947
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methylsulfanylphenyl)benzamide
CID 43333027
2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76891287
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-2,3-dimethylbutanamide
CID 77015745
5-hydroxy-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63865627
N-(3-acetylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63859581
5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786337

Frequently Asked Questions

What is the IUPAC name of N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide (CID 77072600) is N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)Nc2cccc(C(N)=NO)c2)c1.
What is the InChIKey of N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide?
The InChIKey is CMXZCDCLVAIRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-5-11(8-16-7-9)14(19)17-12-4-2-3-10(6-12)13(15)18-20/h2-8,20H,1H3,(H2,15,18)(H,17,19).
What are the key properties of N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide?
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 77072600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).