1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

C26H33N5O3 — CID 50781449

IUPAC1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1
InChIInChI=1S/C26H33N5O3/c1-19(2)34-16-8-14-28-25(32)21-11-7-15-30(18-21)24-26(33)31(17-20-9-4-3-5-10-20)23-22(29-24)12-6-13-27-23/h3-6,9-10,12-13,19,21H,7-8,11,14-18H2,1-2H3,(H,28,32)
InChIKeyASNXKZOKJCJJOB-UHFFFAOYSA-N
MW463.58 g/mol
LogP2.99
Rot. Bonds9

About 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (PubChem CID 50781449) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
PubChem CID50781449
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1
InChIInChI=1S/C26H33N5O3/c1-19(2)34-16-8-14-28-25(32)21-11-7-15-30(18-21)24-26(33)31(17-20-9-4-3-5-10-20)23-22(29-24)12-6-13-27-23/h3-6,9-10,12-13,19,21H,7-8,11,14-18H2,1-2H3,(H,28,32)
InChIKeyASNXKZOKJCJJOB-UHFFFAOYSA-N
XLogP2.99
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 50781590
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 50781424
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 50781390
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 50781121
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 50781226
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
CID 50781368
N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 46259573
(3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 92888922
(3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889292
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53070178
(3S)-N-[2-(furan-2-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92869817
(3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889244

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (CID 50781449) is 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is CC(C)OCCCNC(=O)C1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1.
What is the InChIKey of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The InChIKey is ASNXKZOKJCJJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-19(2)34-16-8-14-28-25(32)21-11-7-15-30(18-21)24-26(33)31(17-20-9-4-3-5-10-20)23-22(29-24)12-6-13-27-23/h3-6,9-10,12-13,19,21H,7-8,11,14-18H2,1-2H3,(H,28,32).
What are the key properties of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 50781449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).