2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C23H18N4O — CID 44632955

IUPAC2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1Nc2nc(Nc3ccccc3)ncc2CC1c1cccc2ccccc12
InChIInChI=1S/C23H18N4O/c28-22-20(19-12-6-8-15-7-4-5-11-18(15)19)13-16-14-24-23(27-21(16)26-22)25-17-9-2-1-3-10-17/h1-12,14,20H,13H2,(H2,24,25,26,27,28)
InChIKeyPHCXCFJBTHYGAM-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.65
Rot. Bonds3

About 2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 44632955) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID44632955
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1Nc2nc(Nc3ccccc3)ncc2CC1c1cccc2ccccc12
InChIInChI=1S/C23H18N4O/c28-22-20(19-12-6-8-15-7-4-5-11-18(15)19)13-16-14-24-23(27-21(16)26-22)25-17-9-2-1-3-10-17/h1-12,14,20H,13H2,(H2,24,25,26,27,28)
InChIKeyPHCXCFJBTHYGAM-UHFFFAOYSA-N
XLogP4.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 44632955) is 2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is O=C1Nc2nc(Nc3ccccc3)ncc2CC1c1cccc2ccccc12.
What is the InChIKey of 2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PHCXCFJBTHYGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c28-22-20(19-12-6-8-15-7-4-5-11-18(15)19)13-16-14-24-23(27-21(16)26-22)25-17-9-2-1-3-10-17/h1-12,14,20H,13H2,(H2,24,25,26,27,28).
What are the key properties of 2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 366.42 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 44632955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).