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

C28H29N5O4 — CID 92888922

IUPAC(3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)c(OC)c1
InChIInChI=1S/C28H29N5O4/c1-36-21-12-13-22(24(16-21)37-2)31-27(34)20-10-7-15-32(18-20)26-28(35)33(17-19-8-4-3-5-9-19)25-23(30-26)11-6-14-29-25/h3-6,8-9,11-14,16,20H,7,10,15,17-18H2,1-2H3,(H,31,34)/t20-/m0/s1
InChIKeyNZRUWQMVUJCIGS-FQEVSTJZSA-N
MW499.57 g/mol
LogP3.71
Rot. Bonds7

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

(3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 92888922) has the molecular formula C28H29N5O4 and a molecular weight of 499.57 g/mol. Its IUPAC name is (3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
PubChem CID92888922
Molecular FormulaC28H29N5O4
Molecular Weight499.57 g/mol
Exact Mass499.22
IUPAC Name(3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)c(OC)c1
InChIInChI=1S/C28H29N5O4/c1-36-21-12-13-22(24(16-21)37-2)31-27(34)20-10-7-15-32(18-20)26-28(35)33(17-19-8-4-3-5-9-19)25-23(30-26)11-6-14-29-25/h3-6,8-9,11-14,16,20H,7,10,15,17-18H2,1-2H3,(H,31,34)/t20-/m0/s1
InChIKeyNZRUWQMVUJCIGS-FQEVSTJZSA-N
XLogP3.71
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781349
(3S)-N-(2-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889280
(3R)-N-(2-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889279
(3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889244
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
CID 50781368
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 50781390
(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-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 50781424
N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781351
1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 46324928
(3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009810
N-(3-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781641

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide (CID 92888922) is (3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide is COc1ccc(NC(=O)[C@H]2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)c(OC)c1.
What is the InChIKey of (3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is NZRUWQMVUJCIGS-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H29N5O4/c1-36-21-12-13-22(24(16-21)37-2)31-27(34)20-10-7-15-32(18-20)26-28(35)33(17-19-8-4-3-5-9-19)25-23(30-26)11-6-14-29-25/h3-6,8-9,11-14,16,20H,7,10,15,17-18H2,1-2H3,(H,31,34)/t20-/m0/s1.
What are the key properties of (3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide?
(3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92888922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).