1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

C30H33N5O2 — CID 46324928

IUPAC1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(Cn2c(=O)c(N3CCCC(C(=O)Nc4c(C)cc(C)cc4C)C3)nc3cccnc32)cc1
InChIInChI=1S/C30H33N5O2/c1-19-9-11-23(12-10-19)17-35-27-25(8-5-13-31-27)32-28(30(35)37)34-14-6-7-24(18-34)29(36)33-26-21(3)15-20(2)16-22(26)4/h5,8-13,15-16,24H,6-7,14,17-18H2,1-4H3,(H,33,36)
InChIKeyOTWHIKDTKRZQOX-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.93
Rot. Bonds5

About 1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide (PubChem CID 46324928) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
PubChem CID46324928
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC Name1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(Cn2c(=O)c(N3CCCC(C(=O)Nc4c(C)cc(C)cc4C)C3)nc3cccnc32)cc1
InChIInChI=1S/C30H33N5O2/c1-19-9-11-23(12-10-19)17-35-27-25(8-5-13-31-27)32-28(30(35)37)34-14-6-7-24(18-34)29(36)33-26-21(3)15-20(2)16-22(26)4/h5,8-13,15-16,24H,6-7,14,17-18H2,1-4H3,(H,33,36)
InChIKeyOTWHIKDTKRZQOX-UHFFFAOYSA-N
XLogP4.93
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

AQ-RA 741
CID 129989
(3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide
CID 146681131
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (2,4-dimethyl-phenyl)-amide
CID 3221266
11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl]-8-methyl-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one
CID 10094518
2-[3-[4-(2-benzylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10766280
11-[2-[2-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 13578554
11-[[3-[(Diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 13578571
11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-ethyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 14590403
11-[2-(4-benzylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 15050941
N-(2-(3-oxo-2-(pyridin-3-yl)-6-(3-(trifluoromethyl)benzylamino)pyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
CID 24829724
4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide
CID 24901165
1-(6-Amino-pyridin-3-yl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea
CID 44356620

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide (CID 46324928) is 1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide is Cc1ccc(Cn2c(=O)c(N3CCCC(C(=O)Nc4c(C)cc(C)cc4C)C3)nc3cccnc32)cc1.
What is the InChIKey of 1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The InChIKey is OTWHIKDTKRZQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-19-9-11-23(12-10-19)17-35-27-25(8-5-13-31-27)32-28(30(35)37)34-14-6-7-24(18-34)29(36)33-26-21(3)15-20(2)16-22(26)4/h5,8-13,15-16,24H,6-7,14,17-18H2,1-4H3,(H,33,36).
What are the key properties of 1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 46324928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).