4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride

C20H34ClN5O2 — CID 175734221

IUPAC4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCCN(CC)c1nc2c(c(=O)n1C1CCC(C(=O)NC)CC1)C[C@@H](C)NC2.Cl
InChIInChI=1S/C20H33N5O2.ClH/c1-5-24(6-2)20-23-17-12-22-13(3)11-16(17)19(27)25(20)15-9-7-14(8-10-15)18(26)21-4;/h13-15,22H,5-12H2,1-4H3,(H,21,26);1H/t13-,14?,15?;/m1./s1
InChIKeyRFYROUFLUZBYBK-FCIKTYOZSA-N
MW411.98 g/mol
LogP2.02
Rot. Bonds5

About 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride

4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 175734221) has the molecular formula C20H34ClN5O2 and a molecular weight of 411.98 g/mol. Its IUPAC name is 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride
PubChem CID175734221
Molecular FormulaC20H34ClN5O2
Molecular Weight411.98 g/mol
Exact Mass411.24
IUPAC Name4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCCN(CC)c1nc2c(c(=O)n1C1CCC(C(=O)NC)CC1)C[C@@H](C)NC2.Cl
InChIInChI=1S/C20H33N5O2.ClH/c1-5-24(6-2)20-23-17-12-22-13(3)11-16(17)19(27)25(20)15-9-7-14(8-10-15)18(26)21-4;/h13-15,22H,5-12H2,1-4H3,(H,21,26);1H/t13-,14?,15?;/m1./s1
InChIKeyRFYROUFLUZBYBK-FCIKTYOZSA-N
XLogP2.02
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.98
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride (CID 175734221) is 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride is CCN(CC)c1nc2c(c(=O)n1C1CCC(C(=O)NC)CC1)C[C@@H](C)NC2.Cl.
What is the InChIKey of 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is RFYROUFLUZBYBK-FCIKTYOZSA-N. The full InChI is InChI=1S/C20H33N5O2.ClH/c1-5-24(6-2)20-23-17-12-22-13(3)11-16(17)19(27)25(20)15-9-7-14(8-10-15)18(26)21-4;/h13-15,22H,5-12H2,1-4H3,(H,21,26);1H/t13-,14?,15?;/m1./s1.
What are the key properties of 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 411.98 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 175734221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).