N-[(4-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide

C21H23N5O2 — CID 71839390

IUPACN-[(4-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN(c3cnc4nccnc4c3)C2)cc1
InChIInChI=1S/C21H23N5O2/c1-28-18-6-4-15(5-7-18)12-25-21(27)16-3-2-10-26(14-16)17-11-19-20(24-13-17)23-9-8-22-19/h4-9,11,13,16H,2-3,10,12,14H2,1H3,(H,25,27)
InChIKeyIJOTZEJYXKJCGS-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.57
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide (PubChem CID 71839390) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
PubChem CID71839390
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN(c3cnc4nccnc4c3)C2)cc1
InChIInChI=1S/C21H23N5O2/c1-28-18-6-4-15(5-7-18)12-25-21(27)16-3-2-10-26(14-16)17-11-19-20(24-13-17)23-9-8-22-19/h4-9,11,13,16H,2-3,10,12,14H2,1H3,(H,25,27)
InChIKeyIJOTZEJYXKJCGS-UHFFFAOYSA-N
XLogP2.57
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide (CID 71839390) is N-[(4-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide is COc1ccc(CNC(=O)C2CCCN(c3cnc4nccnc4c3)C2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide?
The InChIKey is IJOTZEJYXKJCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-28-18-6-4-15(5-7-18)12-25-21(27)16-3-2-10-26(14-16)17-11-19-20(24-13-17)23-9-8-22-19/h4-9,11,13,16H,2-3,10,12,14H2,1H3,(H,25,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide is sourced from PubChem (CID 71839390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).