1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide

C24H30N6O — CID 71839313

IUPAC1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide
SMILESCCc1nc2cc(N3CCCC(C(=O)NC(C)c4cccnc4)C3)cnc2nc1CC
InChIInChI=1S/C24H30N6O/c1-4-20-21(5-2)29-23-22(28-20)12-19(14-26-23)30-11-7-9-18(15-30)24(31)27-16(3)17-8-6-10-25-13-17/h6,8,10,12-14,16,18H,4-5,7,9,11,15H2,1-3H3,(H,27,31)
InChIKeyCJBLPZRYJNAECY-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.64
Rot. Bonds6

About 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide

1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide (PubChem CID 71839313) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide
PubChem CID71839313
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide
SMILESCCc1nc2cc(N3CCCC(C(=O)NC(C)c4cccnc4)C3)cnc2nc1CC
InChIInChI=1S/C24H30N6O/c1-4-20-21(5-2)29-23-22(28-20)12-19(14-26-23)30-11-7-9-18(15-30)24(31)27-16(3)17-8-6-10-25-13-17/h6,8,10,12-14,16,18H,4-5,7,9,11,15H2,1-3H3,(H,27,31)
InChIKeyCJBLPZRYJNAECY-UHFFFAOYSA-N
XLogP3.64
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide (CID 71839313) is 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide is CCc1nc2cc(N3CCCC(C(=O)NC(C)c4cccnc4)C3)cnc2nc1CC.
What is the InChIKey of 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide?
The InChIKey is CJBLPZRYJNAECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-4-20-21(5-2)29-23-22(28-20)12-19(14-26-23)30-11-7-9-18(15-30)24(31)27-16(3)17-8-6-10-25-13-17/h6,8,10,12-14,16,18H,4-5,7,9,11,15H2,1-3H3,(H,27,31).
What are the key properties of 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide?
1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide has a molecular weight of 418.55 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71839313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).