N-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide

C22H30N4O2 — CID 86860956

IUPACN-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCc1cccn2c(=O)cc(CN3CCC(NC(=O)C4CCCCC4)CC3)nc12
InChIInChI=1S/C22H30N4O2/c1-16-6-5-11-26-20(27)14-19(23-21(16)26)15-25-12-9-18(10-13-25)24-22(28)17-7-3-2-4-8-17/h5-6,11,14,17-18H,2-4,7-10,12-13,15H2,1H3,(H,24,28)
InChIKeyPFHNCVNEAMCCNR-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.66
Rot. Bonds4

About N-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide

N-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 86860956) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
PubChem CID86860956
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCc1cccn2c(=O)cc(CN3CCC(NC(=O)C4CCCCC4)CC3)nc12
InChIInChI=1S/C22H30N4O2/c1-16-6-5-11-26-20(27)14-19(23-21(16)26)15-25-12-9-18(10-13-25)24-22(28)17-7-3-2-4-8-17/h5-6,11,14,17-18H,2-4,7-10,12-13,15H2,1H3,(H,24,28)
InChIKeyPFHNCVNEAMCCNR-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide with MolForge

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Related Compounds

N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide
CID 16799362
N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}cyclohexanecarboxamide
CID 6950001
3-Cyclohexyl-N-{2-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-3-YL}propanamide
CID 7217026
N-{2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}cyclohexanecarboxamide
CID 18566195
N-(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide
CID 18566216
2-cyclohexyl-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}acetamide
CID 44009906
2-Cyclohexyl-N-{2,8-dimethyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-3-YL}acetamide
CID 44009940
3-cyclohexyl-N-{2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}propanamide
CID 44009948
2-Cyclohexyl-N-{2,9-dimethyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-3-YL}acetamide
CID 44009974
3-Cyclohexyl-N-{2,9-dimethyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-3-YL}propanamide
CID 44009984
N-{2,9-Dimethyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-3-YL}-2-propylpentanamide
CID 44009985
9-methyl-N-[(4-methyl-1-piperidin-1-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46979181

Frequently Asked Questions

What is the IUPAC name of N-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide (CID 86860956) is N-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide is Cc1cccn2c(=O)cc(CN3CCC(NC(=O)C4CCCCC4)CC3)nc12.
What is the InChIKey of N-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is PFHNCVNEAMCCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-6-5-11-26-20(27)14-19(23-21(16)26)15-25-12-9-18(10-13-25)24-22(28)17-7-3-2-4-8-17/h5-6,11,14,17-18H,2-4,7-10,12-13,15H2,1H3,(H,24,28).
What are the key properties of N-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
N-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 86860956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).