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

C19H23N5O2 — CID 56885867

IUPAC6-methyl-3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyridin-2-one
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1ccc(C)[nH]c1=O)C2
InChIInChI=1S/C19H23N5O2/c1-12-5-6-15(18(25)20-12)19(26)24-10-7-14-16(11-24)21-13(2)22-17(14)23-8-3-4-9-23/h5-6H,3-4,7-11H2,1-2H3,(H,20,25)
InChIKeyHOAKHJSUVDTJCH-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.58
Rot. Bonds2

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

6-methyl-3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyridin-2-one (PubChem CID 56885867) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-methyl-3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyridin-2-one
PubChem CID56885867
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-methyl-3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyridin-2-one
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1ccc(C)[nH]c1=O)C2
InChIInChI=1S/C19H23N5O2/c1-12-5-6-15(18(25)20-12)19(26)24-10-7-14-16(11-24)21-13(2)22-17(14)23-8-3-4-9-23/h5-6H,3-4,7-11H2,1-2H3,(H,20,25)
InChIKeyHOAKHJSUVDTJCH-UHFFFAOYSA-N
XLogP1.58
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyridin-2-one (CID 56885867) is 6-methyl-3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyridin-2-one is Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1ccc(C)[nH]c1=O)C2.
What is the InChIKey of 6-methyl-3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyridin-2-one?
The InChIKey is HOAKHJSUVDTJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-5-6-15(18(25)20-12)19(26)24-10-7-14-16(11-24)21-13(2)22-17(14)23-8-3-4-9-23/h5-6H,3-4,7-11H2,1-2H3,(H,20,25).
What are the key properties of 6-methyl-3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyridin-2-one?
6-methyl-3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyridin-2-one has a molecular weight of 353.43 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 56885867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).