N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide

C31H30N6O4 — CID 154656597

IUPACN-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide
SMILESCC(C)n1cc(-c2nc3c(C(=O)NCc4cccc(C(C)(C)O)n4)cc(=O)[nH]c3nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C31H30N6O4/c1-18(2)37-17-20(13-14-25(37)39)27-26(19-9-6-5-7-10-19)36-29-28(35-27)22(15-24(38)34-29)30(40)32-16-21-11-8-12-23(33-21)31(3,4)41/h5-15,17-18,41H,16H2,1-4H3,(H,32,40)(H,34,36,38)
InChIKeyLMTVMHPVJIRYOI-UHFFFAOYSA-N
MW550.62 g/mol
LogP3.95
Rot. Bonds7

About N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide

N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide (PubChem CID 154656597) has the molecular formula C31H30N6O4 and a molecular weight of 550.62 g/mol. Its IUPAC name is N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide
PubChem CID154656597
Molecular FormulaC31H30N6O4
Molecular Weight550.62 g/mol
Exact Mass550.23
IUPAC NameN-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide
SMILESCC(C)n1cc(-c2nc3c(C(=O)NCc4cccc(C(C)(C)O)n4)cc(=O)[nH]c3nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C31H30N6O4/c1-18(2)37-17-20(13-14-25(37)39)27-26(19-9-6-5-7-10-19)36-29-28(35-27)22(15-24(38)34-29)30(40)32-16-21-11-8-12-23(33-21)31(3,4)41/h5-15,17-18,41H,16H2,1-4H3,(H,32,40)(H,34,36,38)
InChIKeyLMTVMHPVJIRYOI-UHFFFAOYSA-N
XLogP3.95
TPSA142.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.62
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N,N-dimethyl-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-7-carboxamide
CID 154656512
5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one
CID 69104247
7-(1-methylazetidin-3-yl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656653
2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 153393211
8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154657122
3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656998
4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62308582
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 70756563
3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 155101609
N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111484299
N-[(1R)-1-naphthalen-1-ylethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982863
3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658067

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide?
The IUPAC name of N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide (CID 154656597) is N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide.
What is the SMILES notation for N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide?
The canonical SMILES for N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide is CC(C)n1cc(-c2nc3c(C(=O)NCc4cccc(C(C)(C)O)n4)cc(=O)[nH]c3nc2-c2ccccc2)ccc1=O.
What is the InChIKey of N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide?
The InChIKey is LMTVMHPVJIRYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O4/c1-18(2)37-17-20(13-14-25(37)39)27-26(19-9-6-5-7-10-19)36-29-28(35-27)22(15-24(38)34-29)30(40)32-16-21-11-8-12-23(33-21)31(3,4)41/h5-15,17-18,41H,16H2,1-4H3,(H,32,40)(H,34,36,38).
What are the key properties of N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide?
N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide has a molecular weight of 550.62 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-6-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazine-8-carboxamide is sourced from PubChem (CID 154656597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).