3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one

C25H30N6O — CID 71450486

IUPAC3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCc2nc(-c3ccncc3)nc(N(C)CCc3ccccn3)c2C1
InChIInChI=1S/C25H30N6O/c1-18(2)16-23(32)31-15-10-22-21(17-31)25(29-24(28-22)19-7-12-26-13-8-19)30(3)14-9-20-6-4-5-11-27-20/h4-8,11-13,18H,9-10,14-17H2,1-3H3
InChIKeyKKVQCCGJXMHHFT-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.54
Rot. Bonds7

About 3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one

3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one (PubChem CID 71450486) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
PubChem CID71450486
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCc2nc(-c3ccncc3)nc(N(C)CCc3ccccn3)c2C1
InChIInChI=1S/C25H30N6O/c1-18(2)16-23(32)31-15-10-22-21(17-31)25(29-24(28-22)19-7-12-26-13-8-19)30(3)14-9-20-6-4-5-11-27-20/h4-8,11-13,18H,9-10,14-17H2,1-3H3
InChIKeyKKVQCCGJXMHHFT-UHFFFAOYSA-N
XLogP3.54
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one (CID 71450486) is 3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one is CC(C)CC(=O)N1CCc2nc(-c3ccncc3)nc(N(C)CCc3ccccn3)c2C1.
What is the InChIKey of 3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one?
The InChIKey is KKVQCCGJXMHHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-18(2)16-23(32)31-15-10-22-21(17-31)25(29-24(28-22)19-7-12-26-13-8-19)30(3)14-9-20-6-4-5-11-27-20/h4-8,11-13,18H,9-10,14-17H2,1-3H3.
What are the key properties of 3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one?
3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one has a molecular weight of 430.56 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one is sourced from PubChem (CID 71450486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).