N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide

C15H20N4O2 — CID 156601756

IUPACN-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide
SMILESCN1C(=O)CCC2(CNC(=O)c3cnccn3)CCCC12
InChIInChI=1S/C15H20N4O2/c1-19-12-3-2-5-15(12,6-4-13(19)20)10-18-14(21)11-9-16-7-8-17-11/h7-9,12H,2-6,10H2,1H3,(H,18,21)
InChIKeyVYDOVNRKFKIZJT-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.00
Rot. Bonds3

About N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide

N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide (PubChem CID 156601756) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide
PubChem CID156601756
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide
SMILESCN1C(=O)CCC2(CNC(=O)c3cnccn3)CCCC12
InChIInChI=1S/C15H20N4O2/c1-19-12-3-2-5-15(12,6-4-13(19)20)10-18-14(21)11-9-16-7-8-17-11/h7-9,12H,2-6,10H2,1H3,(H,18,21)
InChIKeyVYDOVNRKFKIZJT-UHFFFAOYSA-N
XLogP1.00
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide
CID 156601788
N-methyl-N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide
CID 156601696
N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide
CID 91954428
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 17447495
N-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 87053490
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460
N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 47035916
N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide
CID 79039942
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 141475453
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 47042253
N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 130233496
N-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 110133410

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide (CID 156601756) is N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide is CN1C(=O)CCC2(CNC(=O)c3cnccn3)CCCC12.
What is the InChIKey of N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is VYDOVNRKFKIZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19-12-3-2-5-15(12,6-4-13(19)20)10-18-14(21)11-9-16-7-8-17-11/h7-9,12H,2-6,10H2,1H3,(H,18,21).
What are the key properties of N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide?
N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 156601756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).