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

C16H24N2O3 — CID 110196570

IUPACN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]oxane-4-carboxamide
SMILESCN1C(=O)CCC2(CNC(=O)C3CCOCC3)CCC=C12
InChIInChI=1S/C16H24N2O3/c1-18-13-3-2-7-16(13,8-4-14(18)19)11-17-15(20)12-5-9-21-10-6-12/h3,12H,2,4-11H2,1H3,(H,17,20)
InChIKeyQNYUGODFENGCQK-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.45
Rot. Bonds3

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

N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]oxane-4-carboxamide (PubChem CID 110196570) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]oxane-4-carboxamide
PubChem CID110196570
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]oxane-4-carboxamide
SMILESCN1C(=O)CCC2(CNC(=O)C3CCOCC3)CCC=C12
InChIInChI=1S/C16H24N2O3/c1-18-13-3-2-7-16(13,8-4-14(18)19)11-17-15(20)12-5-9-21-10-6-12/h3,12H,2,4-11H2,1H3,(H,17,20)
InChIKeyQNYUGODFENGCQK-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N~1~-{[1-(Cyclopropylmethyl)-2-oxo-1,2,3,4,5,6-hexahydro-4AH-cyclopenta[B]pyridin-4-YL]methyl}-3-methoxypropanamide
CID 91909542
2-cyclopentyl-N-{[1-methyl-2-oxo-1,3,4,5,6,7-hexahydro-4(2H)-quinolinyl]methyl}acetamide
CID 91920200
N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}tetrahydro-2H-pyran-4-carboxamide
CID 91920222
N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]oxane-4-carboxamide
CID 110196530
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide
CID 110196539
2-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide
CID 110196560
N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopropanecarboxamide
CID 110196561
N-[(1-methyl-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]-1-cyclobutanecarboxamide
CID 110196562
N-({1-Methyl-2-oxo-1H,2H,3H,4H,4AH,5H,6H-cyclopenta[B]pyridin-4A-YL}methyl)cyclopentanecarboxamide
CID 110196563
N-({1-Methyl-2-oxo-1H2H3H4H4AH5H6H-cyclopenta[B]pyridin-4A-YL}methyl)propanamide
CID 110196565
N-{[1-(Cyclopropylmethyl)-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL]methyl}oxane-4-carboxamide
CID 124073413
N-[[(4aS)-1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methylbutanamide
CID 164642934

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]oxane-4-carboxamide (CID 110196570) is N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]oxane-4-carboxamide is CN1C(=O)CCC2(CNC(=O)C3CCOCC3)CCC=C12.
What is the InChIKey of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]oxane-4-carboxamide?
The InChIKey is QNYUGODFENGCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18-13-3-2-7-16(13,8-4-14(18)19)11-17-15(20)12-5-9-21-10-6-12/h3,12H,2,4-11H2,1H3,(H,17,20).
What are the key properties of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]oxane-4-carboxamide?
N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]oxane-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 110196570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).