1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C20H22N6O2 — CID 50781257

IUPAC1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCn1c(=O)c(N2CCC(C(=O)NCc3cccnc3)CC2)nc2cccnc21
InChIInChI=1S/C20H22N6O2/c1-25-17-16(5-3-9-22-17)24-18(20(25)28)26-10-6-15(7-11-26)19(27)23-13-14-4-2-8-21-12-14/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3,(H,23,27)
InChIKeyMRADGHCJVYZMKB-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.26
Rot. Bonds4

About 1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 50781257) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID50781257
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCn1c(=O)c(N2CCC(C(=O)NCc3cccnc3)CC2)nc2cccnc21
InChIInChI=1S/C20H22N6O2/c1-25-17-16(5-3-9-22-17)24-18(20(25)28)26-10-6-15(7-11-26)19(27)23-13-14-4-2-8-21-12-14/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3,(H,23,27)
InChIKeyMRADGHCJVYZMKB-UHFFFAOYSA-N
XLogP1.26
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781083
N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781259
(3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 92889225
1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3590836
1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 50781359
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781383
N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide
CID 133371811
1-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 46324847
4-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 50781233
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53146183
6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053589
1-(2-chloro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453933

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 50781257) is 1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is Cn1c(=O)c(N2CCC(C(=O)NCc3cccnc3)CC2)nc2cccnc21.
What is the InChIKey of 1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is MRADGHCJVYZMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-25-17-16(5-3-9-22-17)24-18(20(25)28)26-10-6-15(7-11-26)19(27)23-13-14-4-2-8-21-12-14/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3,(H,23,27).
What are the key properties of 1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 50781257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).