N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide

C23H25N3O3 — CID 46356506

IUPACN-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide
SMILESCc1ccc2nc(COc3ccccc3NC(=O)C3CCCCC3)cc(=O)n2c1
InChIInChI=1S/C23H25N3O3/c1-16-11-12-21-24-18(13-22(27)26(21)14-16)15-29-20-10-6-5-9-19(20)25-23(28)17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,25,28)
InChIKeyQCRKQYZHITZCOU-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.10
Rot. Bonds5

About N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide

N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide (PubChem CID 46356506) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide
PubChem CID46356506
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide
SMILESCc1ccc2nc(COc3ccccc3NC(=O)C3CCCCC3)cc(=O)n2c1
InChIInChI=1S/C23H25N3O3/c1-16-11-12-21-24-18(13-22(27)26(21)14-16)15-29-20-10-6-5-9-19(20)25-23(28)17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,25,28)
InChIKeyQCRKQYZHITZCOU-UHFFFAOYSA-N
XLogP4.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethylphenyl)-3-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356537
1-(3,5-dimethoxyphenyl)-3-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356557
(2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide
CID 92876319
7-methyl-2-[(2-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42904358
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl cyclobutanecarboxylate
CID 7542435
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356560
ethyl 4-[[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356548
1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea
CID 46356697
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 55601907
methyl 2-[[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356634
2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 2117047
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (1S)-cyclohex-3-ene-1-carboxylate
CID 8608371

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide (CID 46356506) is N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide is Cc1ccc2nc(COc3ccccc3NC(=O)C3CCCCC3)cc(=O)n2c1.
What is the InChIKey of N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide?
The InChIKey is QCRKQYZHITZCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-11-12-21-24-18(13-22(27)26(21)14-16)15-29-20-10-6-5-9-19(20)25-23(28)17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,25,28).
What are the key properties of N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide?
N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 46356506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).