N-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide

C22H25N5O3 — CID 71839287

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCN(c3cnc4nccnc4c3)CC2)c1
InChIInChI=1S/C22H25N5O3/c1-29-18-3-4-20(30-2)16(11-18)13-26-22(28)15-5-9-27(10-6-15)17-12-19-21(25-14-17)24-8-7-23-19/h3-4,7-8,11-12,14-15H,5-6,9-10,13H2,1-2H3,(H,26,28)
InChIKeyYGNOILOCBAWXFL-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.57
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide (PubChem CID 71839287) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
PubChem CID71839287
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCN(c3cnc4nccnc4c3)CC2)c1
InChIInChI=1S/C22H25N5O3/c1-29-18-3-4-20(30-2)16(11-18)13-26-22(28)15-5-9-27(10-6-15)17-12-19-21(25-14-17)24-8-7-23-19/h3-4,7-8,11-12,14-15H,5-6,9-10,13H2,1-2H3,(H,26,28)
InChIKeyYGNOILOCBAWXFL-UHFFFAOYSA-N
XLogP2.57
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
CID 53166037
N-[(3-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839369
N-[(4-morpholin-4-ylphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
CID 83278309
N-[(2-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71830326
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237
1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46359090
N-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
CID 71839302
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959370
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-pyrido[2,3-b]pyrazin-7-ylpiperidin-4-yl)methanone
CID 71839299
1-pyrido[2,3-b]pyrazin-7-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53165945
(3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877210

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide (CID 71839287) is N-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide is COc1ccc(OC)c(CNC(=O)C2CCN(c3cnc4nccnc4c3)CC2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide?
The InChIKey is YGNOILOCBAWXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-29-18-3-4-20(30-2)16(11-18)13-26-22(28)15-5-9-27(10-6-15)17-12-19-21(25-14-17)24-8-7-23-19/h3-4,7-8,11-12,14-15H,5-6,9-10,13H2,1-2H3,(H,26,28).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide is sourced from PubChem (CID 71839287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).