N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide

C22H28N2O2 — CID 102557734

IUPACN-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(C(C)CC(=O)NCc2cc3c([nH]c2=O)CCC3)cc1
InChIInChI=1S/C22H28N2O2/c1-14(2)16-7-9-17(10-8-16)15(3)11-21(25)23-13-19-12-18-5-4-6-20(18)24-22(19)26/h7-10,12,14-15H,4-6,11,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyPFJWDWPWCLWEFG-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.80
Rot. Bonds6

About N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide

N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide (PubChem CID 102557734) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound NameN-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide
PubChem CID102557734
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(C(C)CC(=O)NCc2cc3c([nH]c2=O)CCC3)cc1
InChIInChI=1S/C22H28N2O2/c1-14(2)16-7-9-17(10-8-16)15(3)11-21(25)23-13-19-12-18-5-4-6-20(18)24-22(19)26/h7-10,12,14-15H,4-6,11,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyPFJWDWPWCLWEFG-UHFFFAOYSA-N
XLogP3.80
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide (CID 102557734) is N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide is CC(C)c1ccc(C(C)CC(=O)NCc2cc3c([nH]c2=O)CCC3)cc1.
What is the InChIKey of N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide?
The InChIKey is PFJWDWPWCLWEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-14(2)16-7-9-17(10-8-16)15(3)11-21(25)23-13-19-12-18-5-4-6-20(18)24-22(19)26/h7-10,12,14-15H,4-6,11,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide?
N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide has a molecular weight of 352.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 102557734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).