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

C15H24N2O2 — CID 164642934

IUPACN-[[(4aS)-1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC[C@@]12CCC=C1N(C)C(=O)CC2
InChIInChI=1S/C15H24N2O2/c1-11(2)9-13(18)16-10-15-7-4-5-12(15)17(3)14(19)6-8-15/h5,11H,4,6-10H2,1-3H3,(H,16,18)/t15-/m0/s1
InChIKeyZKPAQZXUEMXRKF-HNNXBMFYSA-N
MW264.37 g/mol
LogP2.07
Rot. Bonds4

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

N-[[(4aS)-1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methylbutanamide (PubChem CID 164642934) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[(4aS)-1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[[(4aS)-1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methylbutanamide
PubChem CID164642934
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[[(4aS)-1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC[C@@]12CCC=C1N(C)C(=O)CC2
InChIInChI=1S/C15H24N2O2/c1-11(2)9-13(18)16-10-15-7-4-5-12(15)17(3)14(19)6-8-15/h5,11H,4,6-10H2,1-3H3,(H,16,18)/t15-/m0/s1
InChIKeyZKPAQZXUEMXRKF-HNNXBMFYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(4aS)-1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methylbutanamide?
The IUPAC name of N-[[(4aS)-1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methylbutanamide (CID 164642934) is N-[[(4aS)-1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methylbutanamide.
What is the SMILES notation for N-[[(4aS)-1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methylbutanamide?
The canonical SMILES for N-[[(4aS)-1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methylbutanamide is CC(C)CC(=O)NC[C@@]12CCC=C1N(C)C(=O)CC2.
What is the InChIKey of N-[[(4aS)-1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methylbutanamide?
The InChIKey is ZKPAQZXUEMXRKF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)9-13(18)16-10-15-7-4-5-12(15)17(3)14(19)6-8-15/h5,11H,4,6-10H2,1-3H3,(H,16,18)/t15-/m0/s1.
What are the key properties of N-[[(4aS)-1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methylbutanamide?
N-[[(4aS)-1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4aS)-1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methylbutanamide is sourced from PubChem (CID 164642934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).