N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

C24H29N5O2 — CID 53189852

IUPACN-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)nc2cccnc21
InChIInChI=1S/C24H29N5O2/c1-17(2)15-29-22-20(9-6-12-25-22)27-21(24(29)31)23(30)26-19-10-13-28(14-11-19)16-18-7-4-3-5-8-18/h3-9,12,17,19H,10-11,13-16H2,1-2H3,(H,26,30)
InChIKeyMUZOPZLOMREFGC-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.84
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (PubChem CID 53189852) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
PubChem CID53189852
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)nc2cccnc21
InChIInChI=1S/C24H29N5O2/c1-17(2)15-29-22-20(9-6-12-25-22)27-21(24(29)31)23(30)26-19-10-13-28(14-11-19)16-18-7-4-3-5-8-18/h3-9,12,17,19H,10-11,13-16H2,1-2H3,(H,26,30)
InChIKeyMUZOPZLOMREFGC-UHFFFAOYSA-N
XLogP2.84
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide with MolForge

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Related Compounds

4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide
CID 53189854
4-butyl-N-cyclopentyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134800302
N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189896
N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide
CID 57116659
1-[1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)urea
CID 53021717
methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134797766
4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide
CID 53189895
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134797046
2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid
CID 23042003
2-(4-benzylpiperazine-1-carbonyl)-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134802710
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
1-[1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 53021678

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (CID 53189852) is N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is CC(C)Cn1c(=O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)nc2cccnc21.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The InChIKey is MUZOPZLOMREFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17(2)15-29-22-20(9-6-12-25-22)27-21(24(29)31)23(30)26-19-10-13-28(14-11-19)16-18-7-4-3-5-8-18/h3-9,12,17,19H,10-11,13-16H2,1-2H3,(H,26,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 53189852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).