2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid

C16H15N3O4 — CID 9015476

IUPAC2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
SMILESC/C(=N/NC(=O)c1ccccn1)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C16H15N3O4/c1-11(18-19-16(22)14-4-2-3-9-17-14)12-5-7-13(8-6-12)23-10-15(20)21/h2-9H,10H2,1H3,(H,19,22)(H,20,21)/b18-11-
InChIKeyXERTZNQSKIVSKU-WQRHYEAKSA-N
MW313.31 g/mol
LogP1.70
Rot. Bonds6

About 2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid

2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid (PubChem CID 9015476) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
PubChem CID9015476
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
SMILESC/C(=N/NC(=O)c1ccccn1)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C16H15N3O4/c1-11(18-19-16(22)14-4-2-3-9-17-14)12-5-7-13(8-6-12)23-10-15(20)21/h2-9H,10H2,1H3,(H,19,22)(H,20,21)/b18-11-
InChIKeyXERTZNQSKIVSKU-WQRHYEAKSA-N
XLogP1.70
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 9015535
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 7934939
2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9176423
2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9232127
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
CID 5158930
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750
2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 6089555
4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9215537
N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 7937167
N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
CID 6232405
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid (CID 9015476) is 2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid is C/C(=N/NC(=O)c1ccccn1)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid?
The InChIKey is XERTZNQSKIVSKU-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-11(18-19-16(22)14-4-2-3-9-17-14)12-5-7-13(8-6-12)23-10-15(20)21/h2-9H,10H2,1H3,(H,19,22)(H,20,21)/b18-11-.
What are the key properties of 2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid?
2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid has a molecular weight of 313.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid is sourced from PubChem (CID 9015476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).