(Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide

C13H12N4O2 — CID 134096374

IUPAC(Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide
SMILESO=C(/C=C(\O)Nc1ccccn1)Nc1ccccn1
InChIInChI=1S/C13H12N4O2/c18-12(16-10-5-1-3-7-14-10)9-13(19)17-11-6-2-4-8-15-11/h1-9,18H,(H,14,16)(H,15,17,19)/b12-9-
InChIKeyVDYRUCOMCIAPOH-XFXZXTDPSA-N
MW256.27 g/mol
LogP1.93
Rot. Bonds4

About (Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide

(Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide (PubChem CID 134096374) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is (Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide
PubChem CID134096374
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name(Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide
SMILESO=C(/C=C(\O)Nc1ccccn1)Nc1ccccn1
InChIInChI=1S/C13H12N4O2/c18-12(16-10-5-1-3-7-14-10)9-13(19)17-11-6-2-4-8-15-11/h1-9,18H,(H,14,16)(H,15,17,19)/b12-9-
InChIKeyVDYRUCOMCIAPOH-XFXZXTDPSA-N
XLogP1.93
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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1-hydroxy-3-pyridin-2-ylurea
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1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095693
(E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide
CID 115342586
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
5-oxo-5-phenyl-N-pyridin-2-ylpentanamide
CID 108796237
(Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one
CID 7084676
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
2-[2-oxo-2-(pyridin-2-ylamino)ethoxy]acetic acid
CID 2737830
1-carbamoyl-3-pyridin-2-ylurea
CID 564989

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide?
The IUPAC name of (Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide (CID 134096374) is (Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide is O=C(/C=C(\O)Nc1ccccn1)Nc1ccccn1.
What is the InChIKey of (Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide?
The InChIKey is VDYRUCOMCIAPOH-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H12N4O2/c18-12(16-10-5-1-3-7-14-10)9-13(19)17-11-6-2-4-8-15-11/h1-9,18H,(H,14,16)(H,15,17,19)/b12-9-.
What are the key properties of (Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide?
(Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide has a molecular weight of 256.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide is sourced from PubChem (CID 134096374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).