2-(diethylamino)-7-piperidin-4-yl-6H-pyrido[4,3-d]pyrimidin-5-one

C16H23N5O — CID 92591060

IUPAC2-(diethylamino)-7-piperidin-4-yl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCN(CC)c1ncc2c(=O)[nH]c(C3CCNCC3)cc2n1
InChIInChI=1S/C16H23N5O/c1-3-21(4-2)16-18-10-12-14(20-16)9-13(19-15(12)22)11-5-7-17-8-6-11/h9-11,17H,3-8H2,1-2H3,(H,19,22)
InChIKeyQQDWKKIHXQVWHM-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.63
Rot. Bonds4

About 2-(diethylamino)-7-piperidin-4-yl-6H-pyrido[4,3-d]pyrimidin-5-one

2-(diethylamino)-7-piperidin-4-yl-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 92591060) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(diethylamino)-7-piperidin-4-yl-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(diethylamino)-7-piperidin-4-yl-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID92591060
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-(diethylamino)-7-piperidin-4-yl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCN(CC)c1ncc2c(=O)[nH]c(C3CCNCC3)cc2n1
InChIInChI=1S/C16H23N5O/c1-3-21(4-2)16-18-10-12-14(20-16)9-13(19-15(12)22)11-5-7-17-8-6-11/h9-11,17H,3-8H2,1-2H3,(H,19,22)
InChIKeyQQDWKKIHXQVWHM-UHFFFAOYSA-N
XLogP1.63
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-7-piperidin-4-yl-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-(diethylamino)-7-piperidin-4-yl-6H-pyrido[4,3-d]pyrimidin-5-one (CID 92591060) is 2-(diethylamino)-7-piperidin-4-yl-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-(diethylamino)-7-piperidin-4-yl-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-(diethylamino)-7-piperidin-4-yl-6H-pyrido[4,3-d]pyrimidin-5-one is CCN(CC)c1ncc2c(=O)[nH]c(C3CCNCC3)cc2n1.
What is the InChIKey of 2-(diethylamino)-7-piperidin-4-yl-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is QQDWKKIHXQVWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-3-21(4-2)16-18-10-12-14(20-16)9-13(19-15(12)22)11-5-7-17-8-6-11/h9-11,17H,3-8H2,1-2H3,(H,19,22).
What are the key properties of 2-(diethylamino)-7-piperidin-4-yl-6H-pyrido[4,3-d]pyrimidin-5-one?
2-(diethylamino)-7-piperidin-4-yl-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 301.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-7-piperidin-4-yl-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 92591060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).