N-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide

C17H23N5O2 — CID 119917162

IUPACN-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2cc(=O)n3ccccc3n2)C1
InChIInChI=1S/C17H23N5O2/c18-6-7-19-17(24)13-4-3-8-21(11-13)12-14-10-16(23)22-9-2-1-5-15(22)20-14/h1-2,5,9-10,13H,3-4,6-8,11-12,18H2,(H,19,24)
InChIKeyQLIRUIXNBPRNGT-UHFFFAOYSA-N
MW329.40 g/mol
LogP-0.02
Rot. Bonds5

About N-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 119917162) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide
PubChem CID119917162
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2cc(=O)n3ccccc3n2)C1
InChIInChI=1S/C17H23N5O2/c18-6-7-19-17(24)13-4-3-8-21(11-13)12-14-10-16(23)22-9-2-1-5-15(22)20-14/h1-2,5,9-10,13H,3-4,6-8,11-12,18H2,(H,19,24)
InChIKeyQLIRUIXNBPRNGT-UHFFFAOYSA-N
XLogP-0.02
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135853285
1-cyclopentyl-N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-piperidinecarboxamide
CID 136216795
N-{2-Methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-3-YL}-2-propylpentanamide
CID 7217028
N-{3-[4-(aminocarbonyl)piperidin-1-yl]propyl}-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 131895160
1'-methyl-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-1,4'-bipiperidine-3-carboxamide
CID 136147228
[1-(2-Methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 126515406
2-methyl-3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723293
3-(6,9-Diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 176681765
7-bromo-2-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8300076
7-bromo-2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8300078
7-bromo-2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8300080
7-methyl-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8478624

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide (CID 119917162) is N-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(Cc2cc(=O)n3ccccc3n2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is QLIRUIXNBPRNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c18-6-7-19-17(24)13-4-3-8-21(11-13)12-14-10-16(23)22-9-2-1-5-15(22)20-14/h1-2,5,9-10,13H,3-4,6-8,11-12,18H2,(H,19,24).
What are the key properties of N-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119917162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).