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

C23H34N6O — CID 95100994

IUPAC(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCCc1nc2cc(N3CCC[C@@H](C(=O)NCCN4CCCC4)C3)cnc2nc1CC
InChIInChI=1S/C23H34N6O/c1-3-19-20(4-2)27-22-21(26-19)14-18(15-25-22)29-12-7-8-17(16-29)23(30)24-9-13-28-10-5-6-11-28/h14-15,17H,3-13,16H2,1-2H3,(H,24,30)/t17-/m1/s1
InChIKeySRLNCLFIQVAFTB-QGZVFWFLSA-N
MW410.57 g/mol
LogP2.58
Rot. Bonds7

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

(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 95100994) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is (3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID95100994
Molecular FormulaC23H34N6O
Molecular Weight410.57 g/mol
Exact Mass410.28
IUPAC Name(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCCc1nc2cc(N3CCC[C@@H](C(=O)NCCN4CCCC4)C3)cnc2nc1CC
InChIInChI=1S/C23H34N6O/c1-3-19-20(4-2)27-22-21(26-19)14-18(15-25-22)29-12-7-8-17(16-29)23(30)24-9-13-28-10-5-6-11-28/h14-15,17H,3-13,16H2,1-2H3,(H,24,30)/t17-/m1/s1
InChIKeySRLNCLFIQVAFTB-QGZVFWFLSA-N
XLogP2.58
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 53166012
(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 95100941
[(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 95100992
1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(1-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 71839313
1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 71839250
(3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882153
1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 53166017
N-(2-methylpropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839376
(3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 95100846
(3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115704
N-[2-(azepan-1-yl)ethyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 53107069
(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 95100975

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (CID 95100994) is (3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is CCc1nc2cc(N3CCC[C@@H](C(=O)NCCN4CCCC4)C3)cnc2nc1CC.
What is the InChIKey of (3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is SRLNCLFIQVAFTB-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H34N6O/c1-3-19-20(4-2)27-22-21(26-19)14-18(15-25-22)29-12-7-8-17(16-29)23(30)24-9-13-28-10-5-6-11-28/h14-15,17H,3-13,16H2,1-2H3,(H,24,30)/t17-/m1/s1.
What are the key properties of (3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 410.57 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95100994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).