6-[(6-methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one

C19H15N5O2 — CID 134805248

IUPAC6-[(6-methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(Nc2ccc3ncn(-c4ccccc4)c(=O)c3n2)cn1
InChIInChI=1S/C19H15N5O2/c1-26-17-10-7-13(11-20-17)22-16-9-8-15-18(23-16)19(25)24(12-21-15)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)
InChIKeyZBWABMFJYGUHBG-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.93
Rot. Bonds4

About 6-[(6-methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one

6-[(6-methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 134805248) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 6-[(6-methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(6-methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one
PubChem CID134805248
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name6-[(6-methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(Nc2ccc3ncn(-c4ccccc4)c(=O)c3n2)cn1
InChIInChI=1S/C19H15N5O2/c1-26-17-10-7-13(11-20-17)22-16-9-8-15-18(23-16)19(25)24(12-21-15)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)
InChIKeyZBWABMFJYGUHBG-UHFFFAOYSA-N
XLogP2.93
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-[(6-methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one (CID 134805248) is 6-[(6-methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(6-methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-[(6-methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one is COc1ccc(Nc2ccc3ncn(-c4ccccc4)c(=O)c3n2)cn1.
What is the InChIKey of 6-[(6-methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is ZBWABMFJYGUHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-26-17-10-7-13(11-20-17)22-16-9-8-15-18(23-16)19(25)24(12-21-15)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23).
What are the key properties of 6-[(6-methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one?
6-[(6-methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 345.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134805248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).