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

C15H22N4O — CID 11847672

IUPAC2-cyclohexyl-N-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetamide
SMILESO=C(CC1CCCCC1)Nc1ncnc2c1CCNC2
InChIInChI=1S/C15H22N4O/c20-14(8-11-4-2-1-3-5-11)19-15-12-6-7-16-9-13(12)17-10-18-15/h10-11,16H,1-9H2,(H,17,18,19,20)
InChIKeyMDZWUBCMPJBJDG-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.03
Rot. Bonds3

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

2-cyclohexyl-N-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetamide (PubChem CID 11847672) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-cyclohexyl-N-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetamide
PubChem CID11847672
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-cyclohexyl-N-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetamide
SMILESO=C(CC1CCCCC1)Nc1ncnc2c1CCNC2
InChIInChI=1S/C15H22N4O/c20-14(8-11-4-2-1-3-5-11)19-15-12-6-7-16-9-13(12)17-10-18-15/h10-11,16H,1-9H2,(H,17,18,19,20)
InChIKeyMDZWUBCMPJBJDG-UHFFFAOYSA-N
XLogP2.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetamide (CID 11847672) is 2-cyclohexyl-N-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetamide is O=C(CC1CCCCC1)Nc1ncnc2c1CCNC2.
What is the InChIKey of 2-cyclohexyl-N-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetamide?
The InChIKey is MDZWUBCMPJBJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-14(8-11-4-2-1-3-5-11)19-15-12-6-7-16-9-13(12)17-10-18-15/h10-11,16H,1-9H2,(H,17,18,19,20).
What are the key properties of 2-cyclohexyl-N-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetamide?
2-cyclohexyl-N-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetamide has a molecular weight of 274.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 11847672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).