1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide

C16H21N5O2 — CID 50781195

IUPAC1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide
SMILESCCn1c(=O)c(N2CCC(C(=O)NC)CC2)nc2cccnc21
InChIInChI=1S/C16H21N5O2/c1-3-21-13-12(5-4-8-18-13)19-14(16(21)23)20-9-6-11(7-10-20)15(22)17-2/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,17,22)
InChIKeyNRQJIADFNLGTOS-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.77
Rot. Bonds3

About 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide

1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 50781195) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide
PubChem CID50781195
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide
SMILESCCn1c(=O)c(N2CCC(C(=O)NC)CC2)nc2cccnc21
InChIInChI=1S/C16H21N5O2/c1-3-21-13-12(5-4-8-18-13)19-14(16(21)23)20-9-6-11(7-10-20)15(22)17-2/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,17,22)
InChIKeyNRQJIADFNLGTOS-UHFFFAOYSA-N
XLogP0.77
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide (CID 50781195) is 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide is CCn1c(=O)c(N2CCC(C(=O)NC)CC2)nc2cccnc21.
What is the InChIKey of 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is NRQJIADFNLGTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-21-13-12(5-4-8-18-13)19-14(16(21)23)20-9-6-11(7-10-20)15(22)17-2/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,17,22).
What are the key properties of 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide?
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 50781195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).