2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one

C26H20N4O — CID 18374988

IUPAC2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20N4O/c31-23-17-16-21-18-27-26(28-22-14-8-3-9-15-22)29-25(21)30(23)24(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-18,24H,(H,27,28,29)
InChIKeyNAVFTSNHPBSYLO-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.17
Rot. Bonds5

About 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one

2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 18374988) has the molecular formula C26H20N4O and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one
PubChem CID18374988
Molecular FormulaC26H20N4O
Molecular Weight404.47 g/mol
Exact Mass404.16
IUPAC Name2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20N4O/c31-23-17-16-21-18-27-26(28-22-14-8-3-9-15-22)29-25(21)30(23)24(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-18,24H,(H,27,28,29)
InChIKeyNAVFTSNHPBSYLO-UHFFFAOYSA-N
XLogP5.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one (CID 18374988) is 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccccc3)nc2n1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NAVFTSNHPBSYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O/c31-23-17-16-21-18-27-26(28-22-14-8-3-9-15-22)29-25(21)30(23)24(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-18,24H,(H,27,28,29).
What are the key properties of 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 404.47 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18374988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).