N,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide

C22H34N4O2 — CID 136761480

IUPACN,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
SMILESCc1nc2c(c(=O)[nH]1)CN(CC(=O)N(C1CCCCC1)C1CCCCC1)CC2
InChIInChI=1S/C22H34N4O2/c1-16-23-20-12-13-25(14-19(20)22(28)24-16)15-21(27)26(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h17-18H,2-15H2,1H3,(H,23,24,28)
InChIKeyLHGKQDNLYCVHID-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.93
Rot. Bonds4

About N,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide

N,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide (PubChem CID 136761480) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
PubChem CID136761480
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
SMILESCc1nc2c(c(=O)[nH]1)CN(CC(=O)N(C1CCCCC1)C1CCCCC1)CC2
InChIInChI=1S/C22H34N4O2/c1-16-23-20-12-13-25(14-19(20)22(28)24-16)15-21(27)26(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h17-18H,2-15H2,1H3,(H,23,24,28)
InChIKeyLHGKQDNLYCVHID-UHFFFAOYSA-N
XLogP2.93
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide (CID 136761480) is N,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide is Cc1nc2c(c(=O)[nH]1)CN(CC(=O)N(C1CCCCC1)C1CCCCC1)CC2.
What is the InChIKey of N,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
The InChIKey is LHGKQDNLYCVHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-16-23-20-12-13-25(14-19(20)22(28)24-16)15-21(27)26(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h17-18H,2-15H2,1H3,(H,23,24,28).
What are the key properties of N,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
N,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide has a molecular weight of 386.54 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 136761480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).