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

C25H30N4O2 — CID 24791440

IUPACN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)Cc1ccc(CN2CCCC(NC(=O)c3cnc4ccccn4c3=O)C2)cc1
InChIInChI=1S/C25H30N4O2/c1-18(2)14-19-8-10-20(11-9-19)16-28-12-5-6-21(17-28)27-24(30)22-15-26-23-7-3-4-13-29(23)25(22)31/h3-4,7-11,13,15,18,21H,5-6,12,14,16-17H2,1-2H3,(H,27,30)
InChIKeyPYJGHPQLTCNPNC-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.29
Rot. Bonds6

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

N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 24791440) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID24791440
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)Cc1ccc(CN2CCCC(NC(=O)c3cnc4ccccn4c3=O)C2)cc1
InChIInChI=1S/C25H30N4O2/c1-18(2)14-19-8-10-20(11-9-19)16-28-12-5-6-21(17-28)27-24(30)22-15-26-23-7-3-4-13-29(23)25(22)31/h3-4,7-11,13,15,18,21H,5-6,12,14,16-17H2,1-2H3,(H,27,30)
InChIKeyPYJGHPQLTCNPNC-UHFFFAOYSA-N
XLogP3.29
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 45219277
3-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxophthalazine-1-carboxamide
CID 24790624
N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620977
N-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 70774435
1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide
CID 42382294
5-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 45215528
N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 95154221
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 92701082
N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide
CID 42517014
1-(1-benzylpiperidin-3-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 136577315
N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]oxane-4-carboxamide
CID 42244583
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 24791440) is N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)Cc1ccc(CN2CCCC(NC(=O)c3cnc4ccccn4c3=O)C2)cc1.
What is the InChIKey of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is PYJGHPQLTCNPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18(2)14-19-8-10-20(11-9-19)16-28-12-5-6-21(17-28)27-24(30)22-15-26-23-7-3-4-13-29(23)25(22)31/h3-4,7-11,13,15,18,21H,5-6,12,14,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24791440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).