N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide

C24H30N6O2 — CID 53194743

IUPACN-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(c3nc4ccncc4n(CC(C)C)c3=O)CC2)cc1
InChIInChI=1S/C24H30N6O2/c1-17(2)16-30-21-15-25-9-8-20(21)27-22(23(30)31)28-10-12-29(13-11-28)24(32)26-14-19-6-4-18(3)5-7-19/h4-9,15,17H,10-14,16H2,1-3H3,(H,26,32)
InChIKeyLLSRBOUCBZCFDH-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.79
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide

N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide (PubChem CID 53194743) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
PubChem CID53194743
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(c3nc4ccncc4n(CC(C)C)c3=O)CC2)cc1
InChIInChI=1S/C24H30N6O2/c1-17(2)16-30-21-15-25-9-8-20(21)27-22(23(30)31)28-10-12-29(13-11-28)24(32)26-14-19-6-4-18(3)5-7-19/h4-9,15,17H,10-14,16H2,1-3H3,(H,26,32)
InChIKeyLLSRBOUCBZCFDH-UHFFFAOYSA-N
XLogP2.79
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
CID 53194749
2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
CID 53194727
N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
CID 53194753
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
CID 53194693
N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070083
4-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 53070039
4-(4-methylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108569
N-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperazine-1-carboxamide
CID 53069995
4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108721
4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
CID 53194606
N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide
CID 53070136
3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 83273802

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide (CID 53194743) is N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide is Cc1ccc(CNC(=O)N2CCN(c3nc4ccncc4n(CC(C)C)c3=O)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide?
The InChIKey is LLSRBOUCBZCFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-17(2)16-30-21-15-25-9-8-20(21)27-22(23(30)31)28-10-12-29(13-11-28)24(32)26-14-19-6-4-18(3)5-7-19/h4-9,15,17H,10-14,16H2,1-3H3,(H,26,32).
What are the key properties of N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide?
N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 53194743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).