2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide

C21H33N3O2 — CID 69167205

IUPAC2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide
SMILESCCC(CC)(CC)C(=O)Nc1cc(CN2CCOCC2)c2c(n1)CCC2
InChIInChI=1S/C21H33N3O2/c1-4-21(5-2,6-3)20(25)23-19-14-16(15-24-10-12-26-13-11-24)17-8-7-9-18(17)22-19/h14H,4-13,15H2,1-3H3,(H,22,23,25)
InChIKeyFXNZXXYQABEOIR-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.56
Rot. Bonds7

About 2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide

2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide (PubChem CID 69167205) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide.

Molecular Properties

Compound Name2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide
PubChem CID69167205
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide
SMILESCCC(CC)(CC)C(=O)Nc1cc(CN2CCOCC2)c2c(n1)CCC2
InChIInChI=1S/C21H33N3O2/c1-4-21(5-2,6-3)20(25)23-19-14-16(15-24-10-12-26-13-11-24)17-8-7-9-18(17)22-19/h14H,4-13,15H2,1-3H3,(H,22,23,25)
InChIKeyFXNZXXYQABEOIR-UHFFFAOYSA-N
XLogP3.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide with MolForge

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Related Compounds

1-ethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]cyclobutane-1-carboxamide
CID 69165544
2,2-dimethyl-N-[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]butanamide
CID 69164218
N-[6-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide
CID 71098344
N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid
CID 3236741
1-ethyl-N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopentane-1-carboxamide
CID 24952495
N-[2-fluoro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-2,2-dimethylbutanamide
CID 45484683
N-[4-bromo-2,6-bis(morpholin-4-ylmethyl)phenyl]acetamide
CID 70622393
2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 143679175
N-[5-ethoxy-4-(morpholin-4-ylmethyl)-2-pyridinyl]-1-ethylcyclohexane-1-carboxamide
CID 69166093
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylacetamide
CID 3069954
3-methyl-N-(4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 157492657
4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine
CID 171606507

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide?
The IUPAC name of 2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide (CID 69167205) is 2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide.
What is the SMILES notation for 2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide?
The canonical SMILES for 2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide is CCC(CC)(CC)C(=O)Nc1cc(CN2CCOCC2)c2c(n1)CCC2.
What is the InChIKey of 2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide?
The InChIKey is FXNZXXYQABEOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-4-21(5-2,6-3)20(25)23-19-14-16(15-24-10-12-26-13-11-24)17-8-7-9-18(17)22-19/h14H,4-13,15H2,1-3H3,(H,22,23,25).
What are the key properties of 2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide?
2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide has a molecular weight of 359.51 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-[4-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]butanamide is sourced from PubChem (CID 69167205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).