2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide

C22H36N6O2 — CID 92624697

IUPAC2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)CN(C(C)=O)CC2
InChIInChI=1S/C22H36N6O2/c1-6-26(7-2)20(30)15-28-12-9-8-10-19(28)21-23-18-11-13-27(16(3)29)14-17(18)22(24-21)25(4)5/h19H,6-15H2,1-5H3/t19-/m1/s1
InChIKeyDOUPKTHSKXQELQ-LJQANCHMSA-N
MW416.57 g/mol
LogP1.84
Rot. Bonds6

About 2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide

2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide (PubChem CID 92624697) has the molecular formula C22H36N6O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide
PubChem CID92624697
Molecular FormulaC22H36N6O2
Molecular Weight416.57 g/mol
Exact Mass416.29
IUPAC Name2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)CN(C(C)=O)CC2
InChIInChI=1S/C22H36N6O2/c1-6-26(7-2)20(30)15-28-12-9-8-10-19(28)21-23-18-11-13-27(16(3)29)14-17(18)22(24-21)25(4)5/h19H,6-15H2,1-5H3/t19-/m1/s1
InChIKeyDOUPKTHSKXQELQ-LJQANCHMSA-N
XLogP1.84
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide with MolForge

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Related Compounds

CID 71696040
CID 71696040
CID 89752453
CID 89752453
CID 71696042
CID 71696042
CID 46050226
CID 46050226
CID 50961015
CID 50961015
CID 56868241
CID 56868241
CID 56870004
CID 56870004
CID 56870569
CID 56870569
CID 56871379
CID 56871379
CID 56872378
CID 56872378
CID 56886469
CID 56886469
CID 56912768
CID 56912768

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide (CID 92624697) is 2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)CN(C(C)=O)CC2.
What is the InChIKey of 2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide?
The InChIKey is DOUPKTHSKXQELQ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H36N6O2/c1-6-26(7-2)20(30)15-28-12-9-8-10-19(28)21-23-18-11-13-27(16(3)29)14-17(18)22(24-21)25(4)5/h19H,6-15H2,1-5H3/t19-/m1/s1.
What are the key properties of 2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide?
2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide has a molecular weight of 416.57 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 92624697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).