(E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide

C18H15N5O — CID 126493187

IUPAC(E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc(Nc2ccccc2)nc1)Nc1cccnc1
InChIInChI=1S/C18H15N5O/c24-17(22-16-7-4-10-19-13-16)9-8-14-11-20-18(21-12-14)23-15-5-2-1-3-6-15/h1-13H,(H,22,24)(H,20,21,23)/b9-8+
InChIKeyUJLQTDPGDWPIND-CMDGGOBGSA-N
MW317.35 g/mol
LogP3.27
Rot. Bonds5

About (E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide

(E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide (PubChem CID 126493187) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is (E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
PubChem CID126493187
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name(E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc(Nc2ccccc2)nc1)Nc1cccnc1
InChIInChI=1S/C18H15N5O/c24-17(22-16-7-4-10-19-13-16)9-8-14-11-20-18(21-12-14)23-15-5-2-1-3-6-15/h1-13H,(H,22,24)(H,20,21,23)/b9-8+
InChIKeyUJLQTDPGDWPIND-CMDGGOBGSA-N
XLogP3.27
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 110488978
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
(E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 879707
methyl 4-[(E)-3-oxo-3-(pyridin-3-ylamino)prop-1-enyl]benzoate
CID 26592488
3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 5211022
(E)-3-[4-(difluoromethylsulfanyl)phenyl]-N-pyridin-3-ylprop-2-enamide
CID 2309569
3-(1,3-benzodioxol-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 694814
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
N-cyclopropyl-4-[(E)-3-oxo-3-(pyridin-3-ylamino)prop-1-enyl]benzamide
CID 35556282
(2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide
CID 99633361
3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide
CID 68716824
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide (CID 126493187) is (E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cnc(Nc2ccccc2)nc1)Nc1cccnc1.
What is the InChIKey of (E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide?
The InChIKey is UJLQTDPGDWPIND-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H15N5O/c24-17(22-16-7-4-10-19-13-16)9-8-14-11-20-18(21-12-14)23-15-5-2-1-3-6-15/h1-13H,(H,22,24)(H,20,21,23)/b9-8+.
What are the key properties of (E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide?
(E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide has a molecular weight of 317.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 126493187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).