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

C20H20N6O2 — CID 56870599

IUPAC3-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyridin-2-one
SMILESCN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1ccc[nH]c1=O)C2
InChIInChI=1S/C20H20N6O2/c1-25(2)18-14-7-11-26(20(28)15-4-3-8-22-19(15)27)12-16(14)23-17(24-18)13-5-9-21-10-6-13/h3-6,8-10H,7,11-12H2,1-2H3,(H,22,27)
InChIKeyQBDQJQDGEGDAIY-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.49
Rot. Bonds3

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

3-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyridin-2-one (PubChem CID 56870599) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyridin-2-one
PubChem CID56870599
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name3-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyridin-2-one
SMILESCN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1ccc[nH]c1=O)C2
InChIInChI=1S/C20H20N6O2/c1-25(2)18-14-7-11-26(20(28)15-4-3-8-22-19(15)27)12-16(14)23-17(24-18)13-5-9-21-10-6-13/h3-6,8-10H,7,11-12H2,1-2H3,(H,22,27)
InChIKeyQBDQJQDGEGDAIY-UHFFFAOYSA-N
XLogP1.49
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyridin-2-one (CID 56870599) is 3-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyridin-2-one is CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1ccc[nH]c1=O)C2.
What is the InChIKey of 3-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyridin-2-one?
The InChIKey is QBDQJQDGEGDAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-25(2)18-14-7-11-26(20(28)15-4-3-8-22-19(15)27)12-16(14)23-17(24-18)13-5-9-21-10-6-13/h3-6,8-10H,7,11-12H2,1-2H3,(H,22,27).
What are the key properties of 3-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyridin-2-one?
3-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyridin-2-one has a molecular weight of 376.42 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56870599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).