N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide

C22H25N5O2 — CID 71839339

IUPACN-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
SMILESCCOc1cccc(CNC(=O)C2CCCN(c3cnc4nccnc4c3)C2)c1
InChIInChI=1S/C22H25N5O2/c1-2-29-19-7-3-5-16(11-19)13-26-22(28)17-6-4-10-27(15-17)18-12-20-21(25-14-18)24-9-8-23-20/h3,5,7-9,11-12,14,17H,2,4,6,10,13,15H2,1H3,(H,26,28)
InChIKeyOAWUKANKBAUZRG-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.96
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide

N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide (PubChem CID 71839339) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
PubChem CID71839339
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
SMILESCCOc1cccc(CNC(=O)C2CCCN(c3cnc4nccnc4c3)C2)c1
InChIInChI=1S/C22H25N5O2/c1-2-29-19-7-3-5-16(11-19)13-26-22(28)17-6-4-10-27(15-17)18-12-20-21(25-14-18)24-9-8-23-20/h3,5,7-9,11-12,14,17H,2,4,6,10,13,15H2,1H3,(H,26,28)
InChIKeyOAWUKANKBAUZRG-UHFFFAOYSA-N
XLogP2.96
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839369
N-[(2-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71830326
N-(4-ethoxyphenyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839397
N-(2-ethoxyphenyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839394
(3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 97416422
N-(2-methylpropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839376
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
1-pyrido[2,3-b]pyrazin-7-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53165945
(3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 95100846
N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 91890429
(3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882096
1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 55794251

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide (CID 71839339) is N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide is CCOc1cccc(CNC(=O)C2CCCN(c3cnc4nccnc4c3)C2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide?
The InChIKey is OAWUKANKBAUZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-2-29-19-7-3-5-16(11-19)13-26-22(28)17-6-4-10-27(15-17)18-12-20-21(25-14-18)24-9-8-23-20/h3,5,7-9,11-12,14,17H,2,4,6,10,13,15H2,1H3,(H,26,28).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide?
N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide is sourced from PubChem (CID 71839339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).