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

C20H33N5O — CID 92636202

IUPAC2-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCC[C@@H](c2nc(C)c3c(n2)N(C)CCC3)C1
InChIInChI=1S/C20H33N5O/c1-5-25(6-2)18(26)14-24-12-7-9-16(13-24)19-21-15(3)17-10-8-11-23(4)20(17)22-19/h16H,5-14H2,1-4H3/t16-/m1/s1
InChIKeyICVPHMQQMQVFRX-MRXNPFEDSA-N
MW359.52 g/mol
LogP2.22
Rot. Bonds5

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

2-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide (PubChem CID 92636202) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 2-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide
PubChem CID92636202
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name2-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCC[C@@H](c2nc(C)c3c(n2)N(C)CCC3)C1
InChIInChI=1S/C20H33N5O/c1-5-25(6-2)18(26)14-24-12-7-9-16(13-24)19-21-15(3)17-10-8-11-23(4)20(17)22-19/h16H,5-14H2,1-4H3/t16-/m1/s1
InChIKeyICVPHMQQMQVFRX-MRXNPFEDSA-N
XLogP2.22
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide (CID 92636202) is 2-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCC[C@@H](c2nc(C)c3c(n2)N(C)CCC3)C1.
What is the InChIKey of 2-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide?
The InChIKey is ICVPHMQQMQVFRX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H33N5O/c1-5-25(6-2)18(26)14-24-12-7-9-16(13-24)19-21-15(3)17-10-8-11-23(4)20(17)22-19/h16H,5-14H2,1-4H3/t16-/m1/s1.
What are the key properties of 2-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide?
2-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide has a molecular weight of 359.52 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 92636202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).