N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide

C13H18N2O — CID 110203808

IUPACN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cnc2c(c1)CCC2
InChIInChI=1S/C13H18N2O/c1-9(2)6-13(16)15-11-7-10-4-3-5-12(10)14-8-11/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyGFDOOQXDTYVFFJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.55
Rot. Bonds3

About N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide (PubChem CID 110203808) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide
PubChem CID110203808
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cnc2c(c1)CCC2
InChIInChI=1S/C13H18N2O/c1-9(2)6-13(16)15-11-7-10-4-3-5-12(10)14-8-11/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyGFDOOQXDTYVFFJ-UHFFFAOYSA-N
XLogP2.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide (CID 110203808) is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide is CC(C)CC(=O)Nc1cnc2c(c1)CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide?
The InChIKey is GFDOOQXDTYVFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)6-13(16)15-11-7-10-4-3-5-12(10)14-8-11/h7-9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide?
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide has a molecular weight of 218.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-methylbutanamide is sourced from PubChem (CID 110203808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).