N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide

C22H25N5O3 — CID 50781259

IUPACN-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2nc3cccnc3n(C)c2=O)CC1
InChIInChI=1S/C22H25N5O3/c1-26-19-17(7-5-11-23-19)25-20(22(26)29)27-12-9-15(10-13-27)21(28)24-14-16-6-3-4-8-18(16)30-2/h3-8,11,15H,9-10,12-14H2,1-2H3,(H,24,28)
InChIKeyATXGVVPCOFLZAO-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.87
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide

N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide (PubChem CID 50781259) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
PubChem CID50781259
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2nc3cccnc3n(C)c2=O)CC1
InChIInChI=1S/C22H25N5O3/c1-26-19-17(7-5-11-23-19)25-20(22(26)29)27-12-9-15(10-13-27)21(28)24-14-16-6-3-4-8-18(16)30-2/h3-8,11,15H,9-10,12-14H2,1-2H3,(H,24,28)
InChIKeyATXGVVPCOFLZAO-UHFFFAOYSA-N
XLogP1.87
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781083
1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50781257
(3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889292
N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5308867
1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 50781359
1-(4-ethoxyphthalazin-1-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 20887896
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781383
N-[(2-methoxyphenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53365247
N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118870
(3R)-N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51492751
N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 20886703
(3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 92869777

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide (CID 50781259) is N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide is COc1ccccc1CNC(=O)C1CCN(c2nc3cccnc3n(C)c2=O)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide?
The InChIKey is ATXGVVPCOFLZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-26-19-17(7-5-11-23-19)25-20(22(26)29)27-12-9-15(10-13-27)21(28)24-14-16-6-3-4-8-18(16)30-2/h3-8,11,15H,9-10,12-14H2,1-2H3,(H,24,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50781259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).