7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C17H23N5O — CID 138032792

IUPAC7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN(Cc1ccc(N(C)C)nc1)C2
InChIInChI=1S/C17H23N5O/c1-4-22-12-19-15-11-21(8-7-14(15)17(22)23)10-13-5-6-16(18-9-13)20(2)3/h5-6,9,12H,4,7-8,10-11H2,1-3H3
InChIKeyTWNKIBBATLCKPG-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.28
Rot. Bonds4

About 7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 138032792) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID138032792
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN(Cc1ccc(N(C)C)nc1)C2
InChIInChI=1S/C17H23N5O/c1-4-22-12-19-15-11-21(8-7-14(15)17(22)23)10-13-5-6-16(18-9-13)20(2)3/h5-6,9,12H,4,7-8,10-11H2,1-3H3
InChIKeyTWNKIBBATLCKPG-UHFFFAOYSA-N
XLogP1.28
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 138032792) is 7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CCn1cnc2c(c1=O)CCN(Cc1ccc(N(C)C)nc1)C2.
What is the InChIKey of 7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is TWNKIBBATLCKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-4-22-12-19-15-11-21(8-7-14(15)17(22)23)10-13-5-6-16(18-9-13)20(2)3/h5-6,9,12H,4,7-8,10-11H2,1-3H3.
What are the key properties of 7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 313.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 138032792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).