2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide

C14H14N4O2 — CID 77001775

IUPAC2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide
SMILESNC(=NO)c1ccc(CC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C14H14N4O2/c15-14(18-20)11-5-3-10(4-6-11)8-13(19)17-12-2-1-7-16-9-12/h1-7,9,20H,8H2,(H2,15,18)(H,17,19)
InChIKeyCXMQBJLIOMVLNX-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.36
Rot. Bonds4

About 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide

2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide (PubChem CID 77001775) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide
PubChem CID77001775
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide
SMILESNC(=NO)c1ccc(CC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C14H14N4O2/c15-14(18-20)11-5-3-10(4-6-11)8-13(19)17-12-2-1-7-16-9-12/h1-7,9,20H,8H2,(H2,15,18)(H,17,19)
InChIKeyCXMQBJLIOMVLNX-UHFFFAOYSA-N
XLogP1.36
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.36
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

2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
N-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
CID 77001317
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide
CID 159911206
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
2-(2-fluorophenyl)-N-pyridin-3-ylacetamide
CID 4195275
N,N'-bis[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanediamide
CID 59542856
4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851
2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide
CID 63589271
1-[(E)-N'-hydroxycarbamimidoyl]-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 80590918
boric acid;pyridin-3-ylurea
CID 175497836

Frequently Asked Questions

What is the IUPAC name of 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide (CID 77001775) is 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide is NC(=NO)c1ccc(CC(=O)Nc2cccnc2)cc1.
What is the InChIKey of 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide?
The InChIKey is CXMQBJLIOMVLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-14(18-20)11-5-3-10(4-6-11)8-13(19)17-12-2-1-7-16-9-12/h1-7,9,20H,8H2,(H2,15,18)(H,17,19).
What are the key properties of 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide?
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide has a molecular weight of 270.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 77001775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).