N-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C22H24N4O3 — CID 136579839

IUPACN-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)c2cnc3ccc(C)cn3c2=O)CC1
InChIInChI=1S/C22H24N4O3/c1-15-7-8-20-23-13-17(22(28)26(20)14-15)21(27)24-16-9-11-25(12-10-16)18-5-3-4-6-19(18)29-2/h3-8,13-14,16H,9-12H2,1-2H3,(H,24,27)
InChIKeyLCUZZQUMVBHUNL-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.41
Rot. Bonds4

About N-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 136579839) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID136579839
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)c2cnc3ccc(C)cn3c2=O)CC1
InChIInChI=1S/C22H24N4O3/c1-15-7-8-20-23-13-17(22(28)26(20)14-15)21(27)24-16-9-11-25(12-10-16)18-5-3-4-6-19(18)29-2/h3-8,13-14,16H,9-12H2,1-2H3,(H,24,27)
InChIKeyLCUZZQUMVBHUNL-UHFFFAOYSA-N
XLogP2.41
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methoxyphenyl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide
CID 136523951
2-chloro-N-[1-(2-methoxyphenyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136579840
7-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878724
7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120577711
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide
CID 136517434
N-cyclopentyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 109273939
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide
CID 5032555
N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109166043
7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119500073
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid
CID 22615426
N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878732
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 136579839) is N-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccccc1N1CCC(NC(=O)c2cnc3ccc(C)cn3c2=O)CC1.
What is the InChIKey of N-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LCUZZQUMVBHUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-7-8-20-23-13-17(22(28)26(20)14-15)21(27)24-16-9-11-25(12-10-16)18-5-3-4-6-19(18)29-2/h3-8,13-14,16H,9-12H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)piperidin-4-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136579839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).