N-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide

C16H16N2O3 — CID 159362308

IUPACN-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCC1(C)C(=O)Cc2cc(C(=O)NCc3ccco3)cnc21
InChIInChI=1S/C16H16N2O3/c1-16(2)13(19)7-10-6-11(8-17-14(10)16)15(20)18-9-12-4-3-5-21-12/h3-6,8H,7,9H2,1-2H3,(H,18,20)
InChIKeyLKHWUWYVSLVLAX-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.01
Rot. Bonds3

About N-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide

N-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 159362308) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID159362308
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCC1(C)C(=O)Cc2cc(C(=O)NCc3ccco3)cnc21
InChIInChI=1S/C16H16N2O3/c1-16(2)13(19)7-10-6-11(8-17-14(10)16)15(20)18-9-12-4-3-5-21-12/h3-6,8H,7,9H2,1-2H3,(H,18,20)
InChIKeyLKHWUWYVSLVLAX-UHFFFAOYSA-N
XLogP2.01
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 62156043
N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247083
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711822
N-(furan-2-ylmethyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide
CID 91946269
5-N-cyclopentyl-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102679
2,3-diethyl-N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2302300
N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254918
N-(furan-2-ylmethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959394
N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 142502464
5-(cyclopentylamino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109226082

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide (CID 159362308) is N-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide is CC1(C)C(=O)Cc2cc(C(=O)NCc3ccco3)cnc21.
What is the InChIKey of N-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is LKHWUWYVSLVLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-16(2)13(19)7-10-6-11(8-17-14(10)16)15(20)18-9-12-4-3-5-21-12/h3-6,8H,7,9H2,1-2H3,(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide?
N-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 159362308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).