N-[3-[2-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]phenyl]naphthalene-2-carboxamide

C28H24N4O2 — CID 22724419

IUPACN-[3-[2-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]phenyl]naphthalene-2-carboxamide
SMILESCC(C)Cc1nc2cccnc2n(-c2cccc(NC(=O)c3ccc4ccccc4c3)c2)c1=O
InChIInChI=1S/C28H24N4O2/c1-18(2)15-25-28(34)32(26-24(31-25)11-6-14-29-26)23-10-5-9-22(17-23)30-27(33)21-13-12-19-7-3-4-8-20(19)16-21/h3-14,16-18H,15H2,1-2H3,(H,30,33)
InChIKeyRHPNBNOSCPPZCP-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.38
Rot. Bonds5

About N-[3-[2-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]phenyl]naphthalene-2-carboxamide

N-[3-[2-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]phenyl]naphthalene-2-carboxamide (PubChem CID 22724419) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[3-[2-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]phenyl]naphthalene-2-carboxamide
PubChem CID22724419
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC NameN-[3-[2-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]phenyl]naphthalene-2-carboxamide
SMILESCC(C)Cc1nc2cccnc2n(-c2cccc(NC(=O)c3ccc4ccccc4c3)c2)c1=O
InChIInChI=1S/C28H24N4O2/c1-18(2)15-25-28(34)32(26-24(31-25)11-6-14-29-26)23-10-5-9-22(17-23)30-27(33)21-13-12-19-7-3-4-8-20(19)16-21/h3-14,16-18H,15H2,1-2H3,(H,30,33)
InChIKeyRHPNBNOSCPPZCP-UHFFFAOYSA-N
XLogP5.38
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[2-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]phenyl]naphthalene-2-carboxamide (CID 22724419) is N-[3-[2-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[2-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]phenyl]naphthalene-2-carboxamide is CC(C)Cc1nc2cccnc2n(-c2cccc(NC(=O)c3ccc4ccccc4c3)c2)c1=O.
What is the InChIKey of N-[3-[2-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]phenyl]naphthalene-2-carboxamide?
The InChIKey is RHPNBNOSCPPZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-18(2)15-25-28(34)32(26-24(31-25)11-6-14-29-26)23-10-5-9-22(17-23)30-27(33)21-13-12-19-7-3-4-8-20(19)16-21/h3-14,16-18H,15H2,1-2H3,(H,30,33).
What are the key properties of N-[3-[2-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]phenyl]naphthalene-2-carboxamide?
N-[3-[2-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]phenyl]naphthalene-2-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 22724419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).