N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide

C14H14N4O2 — CID 82253649

IUPACN-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide
SMILES[H]/N=C(\N)c1cccnc1Oc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H14N4O2/c1-9(19)18-10-4-6-11(7-5-10)20-14-12(13(15)16)3-2-8-17-14/h2-8H,1H3,(H3,15,16)(H,18,19)
InChIKeyCXMKMWULGSYOME-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.12
Rot. Bonds4

About N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide

N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide (PubChem CID 82253649) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide
PubChem CID82253649
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide
SMILES[H]/N=C(\N)c1cccnc1Oc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H14N4O2/c1-9(19)18-10-4-6-11(7-5-10)20-14-12(13(15)16)3-2-8-17-14/h2-8H,1H3,(H3,15,16)(H,18,19)
InChIKeyCXMKMWULGSYOME-UHFFFAOYSA-N
XLogP2.12
TPSA101.09 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 ≤ 52.12
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'}

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Related Compounds

2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82253632
2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide
CID 107665100
2-[4-(methylamino)phenoxy]pyridine-3-carboxamide
CID 54909137
2-(2-methylphenoxy)pyridine-3-carboximidamide
CID 24707903
2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-3-carboximidamide
CID 28825165
2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide
CID 82716806
N-(4-methoxyphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513637
2-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915747
2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide
CID 64601185
2-(3-acetamidophenoxy)pyridine-3-carboxylic acid
CID 22612378
2-(2-phenylphenoxy)pyridine-3-carboximidamide
CID 24699943
2-(2-nitrophenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82240737

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide?
The IUPAC name of N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide (CID 82253649) is N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide is [H]/N=C(\N)c1cccnc1Oc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide?
The InChIKey is CXMKMWULGSYOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9(19)18-10-4-6-11(7-5-10)20-14-12(13(15)16)3-2-8-17-14/h2-8H,1H3,(H3,15,16)(H,18,19).
What are the key properties of N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide?
N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide has a molecular weight of 270.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-carbamimidoyl-2-pyridinyl)oxy]phenyl]acetamide is sourced from PubChem (CID 82253649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).