N-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide

C18H23N3O2 — CID 71990098

IUPACN-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
SMILESN#CCOc1cccc(CNC(=O)N2CCCC3CCCC32)c1
InChIInChI=1S/C18H23N3O2/c19-9-11-23-16-7-1-4-14(12-16)13-20-18(22)21-10-3-6-15-5-2-8-17(15)21/h1,4,7,12,15,17H,2-3,5-6,8,10-11,13H2,(H,20,22)
InChIKeyGNFALJUZYHKHRI-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.06
Rot. Bonds4

About N-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide

N-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide (PubChem CID 71990098) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
PubChem CID71990098
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
SMILESN#CCOc1cccc(CNC(=O)N2CCCC3CCCC32)c1
InChIInChI=1S/C18H23N3O2/c19-9-11-23-16-7-1-4-14(12-16)13-20-18(22)21-10-3-6-15-5-2-8-17(15)21/h1,4,7,12,15,17H,2-3,5-6,8,10-11,13H2,(H,20,22)
InChIKeyGNFALJUZYHKHRI-UHFFFAOYSA-N
XLogP3.06
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide with MolForge

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Related Compounds

4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 122019573
2-[3-[(cyclopropylmethylamino)methyl]phenoxy]acetonitrile
CID 43756743
1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61208248
2-[3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 106024147
2-[3-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]phenoxy]acetonitrile
CID 115625474
(7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339643
4-[[3-(cyanomethoxy)phenyl]methylamino]cyclohexane-1-carboxamide
CID 43791650
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61208442
2-[3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 43764758
3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
CID 79386301
2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile
CID 63725761
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
The IUPAC name of N-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide (CID 71990098) is N-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide.
What is the SMILES notation for N-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
The canonical SMILES for N-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide is N#CCOc1cccc(CNC(=O)N2CCCC3CCCC32)c1.
What is the InChIKey of N-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
The InChIKey is GNFALJUZYHKHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-9-11-23-16-7-1-4-14(12-16)13-20-18(22)21-10-3-6-15-5-2-8-17(15)21/h1,4,7,12,15,17H,2-3,5-6,8,10-11,13H2,(H,20,22).
What are the key properties of N-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
N-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide is sourced from PubChem (CID 71990098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).