2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide

C15H16N4O2 — CID 6217616

IUPAC2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide
SMILESC/C(=N/Nc1ccccn1)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H16N4O2/c1-11(18-19-15-4-2-3-9-17-15)12-5-7-13(8-6-12)21-10-14(16)20/h2-9H,10H2,1H3,(H2,16,20)(H,17,19)/b18-11-
InChIKeyXEEOEMLGKJOBFL-WQRHYEAKSA-N
MW284.32 g/mol
LogP1.78
Rot. Bonds6

About 2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide

2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide (PubChem CID 6217616) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide
PubChem CID6217616
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide
SMILESC/C(=N/Nc1ccccn1)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H16N4O2/c1-11(18-19-15-4-2-3-9-17-15)12-5-7-13(8-6-12)21-10-14(16)20/h2-9H,10H2,1H3,(H2,16,20)(H,17,19)/b18-11-
InChIKeyXEEOEMLGKJOBFL-WQRHYEAKSA-N
XLogP1.78
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.78
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-[1-(4-phenylphenyl)ethylideneamino]pyridin-2-amine
CID 3582287
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]pyridin-2-amine
CID 9121645
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine
CID 6145584
N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine
CID 6273160
N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
CID 9121690
2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9015476
N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
CID 6009222
N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 4590770
N-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
CID 9121640
N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine
CID 4546533
N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]pyridin-2-amine
CID 9121631
(2S)-2-[[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenyl]sulfonylamino]propanoic acid
CID 8978780

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide (CID 6217616) is 2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide is C/C(=N/Nc1ccccn1)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide?
The InChIKey is XEEOEMLGKJOBFL-WQRHYEAKSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11(18-19-15-4-2-3-9-17-15)12-5-7-13(8-6-12)21-10-14(16)20/h2-9H,10H2,1H3,(H2,16,20)(H,17,19)/b18-11-.
What are the key properties of 2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide?
2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide has a molecular weight of 284.32 g/mol, XLogP of 1.78, 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-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide is sourced from PubChem (CID 6217616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).