3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C18H23N5O2 — CID 56919363

IUPAC3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCc3c(ncnc3N(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C18H23N5O2/c1-11(2)14-6-5-13(17(24)21-14)18(25)23-8-7-12-15(9-23)19-10-20-16(12)22(3)4/h5-6,10-11H,7-9H2,1-4H3,(H,21,24)
InChIKeyVZXWSBOKZKCGFE-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.55
Rot. Bonds3

About 3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 56919363) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID56919363
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCc3c(ncnc3N(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C18H23N5O2/c1-11(2)14-6-5-13(17(24)21-14)18(25)23-8-7-12-15(9-23)19-10-20-16(12)22(3)4/h5-6,10-11H,7-9H2,1-4H3,(H,21,24)
InChIKeyVZXWSBOKZKCGFE-UHFFFAOYSA-N
XLogP1.55
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 56919363) is 3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(C(=O)N2CCc3c(ncnc3N(C)C)C2)c(=O)[nH]1.
What is the InChIKey of 3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is VZXWSBOKZKCGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11(2)14-6-5-13(17(24)21-14)18(25)23-8-7-12-15(9-23)19-10-20-16(12)22(3)4/h5-6,10-11H,7-9H2,1-4H3,(H,21,24).
What are the key properties of 3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 341.42 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 56919363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).