N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide

C27H36N6O2 — CID 92888884

IUPACN-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
SMILESCC[C@H](CN(C)Cc1ccccc1)NC(=O)C1CCN(c2nc3cccnc3n(CC)c2=O)CC1
InChIInChI=1S/C27H36N6O2/c1-4-22(19-31(3)18-20-10-7-6-8-11-20)29-26(34)21-13-16-32(17-14-21)25-27(35)33(5-2)24-23(30-25)12-9-15-28-24/h6-12,15,21-22H,4-5,13-14,16-19H2,1-3H3,(H,29,34)/t22-/m1/s1
InChIKeyHONLQLZCPHHKHW-JOCHJYFZSA-N
MW476.63 g/mol
LogP3.05
Rot. Bonds9

About N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide

N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide (PubChem CID 92888884) has the molecular formula C27H36N6O2 and a molecular weight of 476.63 g/mol. Its IUPAC name is N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
PubChem CID92888884
Molecular FormulaC27H36N6O2
Molecular Weight476.63 g/mol
Exact Mass476.29
IUPAC NameN-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
SMILESCC[C@H](CN(C)Cc1ccccc1)NC(=O)C1CCN(c2nc3cccnc3n(CC)c2=O)CC1
InChIInChI=1S/C27H36N6O2/c1-4-22(19-31(3)18-20-10-7-6-8-11-20)29-26(34)21-13-16-32(17-14-21)25-27(35)33(5-2)24-23(30-25)12-9-15-28-24/h6-12,15,21-22H,4-5,13-14,16-19H2,1-3H3,(H,29,34)/t22-/m1/s1
InChIKeyHONLQLZCPHHKHW-JOCHJYFZSA-N
XLogP3.05
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 50781195
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 50781121
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 50781087
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 50781226
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 50781075
N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
CID 50781388
N-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 46324894
4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 83273218
4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 87050114
4-benzyl-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021545
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50781580
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 50781424

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide (CID 92888884) is N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide is CC[C@H](CN(C)Cc1ccccc1)NC(=O)C1CCN(c2nc3cccnc3n(CC)c2=O)CC1.
What is the InChIKey of N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide?
The InChIKey is HONLQLZCPHHKHW-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H36N6O2/c1-4-22(19-31(3)18-20-10-7-6-8-11-20)29-26(34)21-13-16-32(17-14-21)25-27(35)33(5-2)24-23(30-25)12-9-15-28-24/h6-12,15,21-22H,4-5,13-14,16-19H2,1-3H3,(H,29,34)/t22-/m1/s1.
What are the key properties of N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide?
N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide has a molecular weight of 476.63 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[benzyl(methyl)amino]butan-2-yl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 92888884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).