9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C23H32N4O2 — CID 46979181

IUPAC9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCC3(N4CCCCC4)CCC(C)CC3)cnc12
InChIInChI=1S/C23H32N4O2/c1-17-8-10-23(11-9-17,26-12-4-3-5-13-26)16-25-21(28)19-15-24-20-18(2)7-6-14-27(20)22(19)29/h6-7,14-15,17H,3-5,8-13,16H2,1-2H3,(H,25,28)
InChIKeyUISCHQPGIAQUNJ-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.17
Rot. Bonds4

About 9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 46979181) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID46979181
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCC3(N4CCCCC4)CCC(C)CC3)cnc12
InChIInChI=1S/C23H32N4O2/c1-17-8-10-23(11-9-17,26-12-4-3-5-13-26)16-25-21(28)19-15-24-20-18(2)7-6-14-27(20)22(19)29/h6-7,14-15,17H,3-5,8-13,16H2,1-2H3,(H,25,28)
InChIKeyUISCHQPGIAQUNJ-UHFFFAOYSA-N
XLogP3.17
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 46979181) is 9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NCC3(N4CCCCC4)CCC(C)CC3)cnc12.
What is the InChIKey of 9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UISCHQPGIAQUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-17-8-10-23(11-9-17,26-12-4-3-5-13-26)16-25-21(28)19-15-24-20-18(2)7-6-14-27(20)22(19)29/h6-7,14-15,17H,3-5,8-13,16H2,1-2H3,(H,25,28).
What are the key properties of 9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46979181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).