2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide

C21H28N6O3 — CID 126938304

IUPAC2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide
SMILESO=C(NCC1CCCCN1CCn1nc2c(cc1=O)CCCC2)c1ncc[nH]c1=O
InChIInChI=1S/C21H28N6O3/c28-18-13-15-5-1-2-7-17(15)25-27(18)12-11-26-10-4-3-6-16(26)14-24-21(30)19-20(29)23-9-8-22-19/h8-9,13,16H,1-7,10-12,14H2,(H,23,29)(H,24,30)
InChIKeyAFIMNYYZGNMHPN-UHFFFAOYSA-N
MW412.49 g/mol
LogP0.49
Rot. Bonds6

About 2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide

2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide (PubChem CID 126938304) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide
PubChem CID126938304
Molecular FormulaC21H28N6O3
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide
SMILESO=C(NCC1CCCCN1CCn1nc2c(cc1=O)CCCC2)c1ncc[nH]c1=O
InChIInChI=1S/C21H28N6O3/c28-18-13-15-5-1-2-7-17(15)25-27(18)12-11-26-10-4-3-6-16(26)14-24-21(30)19-20(29)23-9-8-22-19/h8-9,13,16H,1-7,10-12,14H2,(H,23,29)(H,24,30)
InChIKeyAFIMNYYZGNMHPN-UHFFFAOYSA-N
XLogP0.49
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide with MolForge

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Related Compounds

2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938291
6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide
CID 137193705
N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 126938203
N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide
CID 126938010
N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 126938157
2-[2-[2-[(cyclobutylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938267
2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938231
1-methyl-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]triazole-4-carboxamide
CID 126937983
N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 126938178
2-[2-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938277
N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 126937972
2-[2-[2-[(5,6,7,8-tetrahydrocinnolin-3-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938134

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide?
The IUPAC name of 2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide (CID 126938304) is 2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide is O=C(NCC1CCCCN1CCn1nc2c(cc1=O)CCCC2)c1ncc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide?
The InChIKey is AFIMNYYZGNMHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c28-18-13-15-5-1-2-7-17(15)25-27(18)12-11-26-10-4-3-6-16(26)14-24-21(30)19-20(29)23-9-8-22-19/h8-9,13,16H,1-7,10-12,14H2,(H,23,29)(H,24,30).
What are the key properties of 2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide?
2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 126938304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).