2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C23H36N6O2 — CID 110262327

IUPAC2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCNc1nc(C2CCCN(CC(=O)N3CCC(C)CC3)C2)nc2c1CN(C(C)=O)CC2
InChIInChI=1S/C23H36N6O2/c1-16-6-10-28(11-7-16)21(31)15-27-9-4-5-18(13-27)22-25-20-8-12-29(17(2)30)14-19(20)23(24-3)26-22/h16,18H,4-15H2,1-3H3,(H,24,25,26)
InChIKeyHXKAOARHEKSINO-UHFFFAOYSA-N
MW428.58 g/mol
LogP1.86
Rot. Bonds4

About 2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 110262327) has the molecular formula C23H36N6O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID110262327
Molecular FormulaC23H36N6O2
Molecular Weight428.58 g/mol
Exact Mass428.29
IUPAC Name2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCNc1nc(C2CCCN(CC(=O)N3CCC(C)CC3)C2)nc2c1CN(C(C)=O)CC2
InChIInChI=1S/C23H36N6O2/c1-16-6-10-28(11-7-16)21(31)15-27-9-4-5-18(13-27)22-25-20-8-12-29(17(2)30)14-19(20)23(24-3)26-22/h16,18H,4-15H2,1-3H3,(H,24,25,26)
InChIKeyHXKAOARHEKSINO-UHFFFAOYSA-N
XLogP1.86
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

2-[2-[(3R)-1-acetylpiperidin-3-yl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 92624817
2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 127251793
2-[2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 110265898
1-[4-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-3-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 92625056
1-[(3R)-3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 92584211
1-[2-[1-[4-(methoxymethyl)benzoyl]piperidin-3-yl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110262335
2-cyclohexyl-1-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110262174
1-[(3R)-3-[4-(methylamino)-6-(2-phenylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95832291
2-[(2R)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 92623509
2-[(3S)-3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 125002506
1-[4-(methylamino)-2-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92625258
2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 127251792

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 110262327) is 2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CNc1nc(C2CCCN(CC(=O)N3CCC(C)CC3)C2)nc2c1CN(C(C)=O)CC2.
What is the InChIKey of 2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is HXKAOARHEKSINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O2/c1-16-6-10-28(11-7-16)21(31)15-27-9-4-5-18(13-27)22-25-20-8-12-29(17(2)30)14-19(20)23(24-3)26-22/h16,18H,4-15H2,1-3H3,(H,24,25,26).
What are the key properties of 2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 428.58 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110262327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).