N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide

C28H21N5O2 — CID 54366064

IUPACN-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1cccc(-n2c(=O)c(Cc3cccnc3)nc3cccnc32)c1
InChIInChI=1S/C28H21N5O2/c34-26(14-13-20-7-2-1-3-8-20)31-22-10-4-11-23(18-22)33-27-24(12-6-16-30-27)32-25(28(33)35)17-21-9-5-15-29-19-21/h1-16,18-19H,17H2,(H,31,34)
InChIKeyUPWGDICIZNRHFG-UHFFFAOYSA-N
MW459.51 g/mol
LogP4.42
Rot. Bonds6

About N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide

N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide (PubChem CID 54366064) has the molecular formula C28H21N5O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide
PubChem CID54366064
Molecular FormulaC28H21N5O2
Molecular Weight459.51 g/mol
Exact Mass459.17
IUPAC NameN-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1cccc(-n2c(=O)c(Cc3cccnc3)nc3cccnc32)c1
InChIInChI=1S/C28H21N5O2/c34-26(14-13-20-7-2-1-3-8-20)31-22-10-4-11-23(18-22)33-27-24(12-6-16-30-27)32-25(28(33)35)17-21-9-5-15-29-19-21/h1-16,18-19H,17H2,(H,31,34)
InChIKeyUPWGDICIZNRHFG-UHFFFAOYSA-N
XLogP4.42
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide (CID 54366064) is N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)Nc1cccc(-n2c(=O)c(Cc3cccnc3)nc3cccnc32)c1.
What is the InChIKey of N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide?
The InChIKey is UPWGDICIZNRHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N5O2/c34-26(14-13-20-7-2-1-3-8-20)31-22-10-4-11-23(18-22)33-27-24(12-6-16-30-27)32-25(28(33)35)17-21-9-5-15-29-19-21/h1-16,18-19H,17H2,(H,31,34).
What are the key properties of N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide?
N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 459.51 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 54366064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).