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

C22H30N4O2 — CID 46976383

IUPAC9-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCC3(N4CCCCC4)CCCCC3)cnc12
InChIInChI=1S/C22H30N4O2/c1-17-9-8-14-26-19(17)23-15-18(21(26)28)20(27)24-16-22(10-4-2-5-11-22)25-12-6-3-7-13-25/h8-9,14-15H,2-7,10-13,16H2,1H3,(H,24,27)
InChIKeyNWOGHPQKDJJLPU-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.92
Rot. Bonds4

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

9-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 46976383) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 9-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name9-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID46976383
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name9-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCC3(N4CCCCC4)CCCCC3)cnc12
InChIInChI=1S/C22H30N4O2/c1-17-9-8-14-26-19(17)23-15-18(21(26)28)20(27)24-16-22(10-4-2-5-11-22)25-12-6-3-7-13-25/h8-9,14-15H,2-7,10-13,16H2,1H3,(H,24,27)
InChIKeyNWOGHPQKDJJLPU-UHFFFAOYSA-N
XLogP2.92
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 9-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 46976383) is 9-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 9-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 9-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NCC3(N4CCCCC4)CCCCC3)cnc12.
What is the InChIKey of 9-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NWOGHPQKDJJLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17-9-8-14-26-19(17)23-15-18(21(26)28)20(27)24-16-22(10-4-2-5-11-22)25-12-6-3-7-13-25/h8-9,14-15H,2-7,10-13,16H2,1H3,(H,24,27).
What are the key properties of 9-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
9-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46976383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).