6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C16H22N2O2 — CID 173179441

IUPAC6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC(=O)C1CCCc2cc(CN3CCC(O)C3)ccc21
InChIInChI=1S/C16H22N2O2/c17-16(20)15-3-1-2-12-8-11(4-5-14(12)15)9-18-7-6-13(19)10-18/h4-5,8,13,15,19H,1-3,6-7,9-10H2,(H2,17,20)
InChIKeyJBWNTRBWTTVVNG-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.16
Rot. Bonds3

About 6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 173179441) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID173179441
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC(=O)C1CCCc2cc(CN3CCC(O)C3)ccc21
InChIInChI=1S/C16H22N2O2/c17-16(20)15-3-1-2-12-8-11(4-5-14(12)15)9-18-7-6-13(19)10-18/h4-5,8,13,15,19H,1-3,6-7,9-10H2,(H2,17,20)
InChIKeyJBWNTRBWTTVVNG-UHFFFAOYSA-N
XLogP1.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 173179420
(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173
2-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzoic acid
CID 106699274
1-[[6-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrrolidin-3-ol
CID 69193657
3-[(3-hydroxypyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 62941703
(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 56594240
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 175878823
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62943961
3-bromo-1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrolidine
CID 80676340
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
(3S)-1-[(3-bromo-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103917989

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 173179441) is 6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is NC(=O)C1CCCc2cc(CN3CCC(O)C3)ccc21.
What is the InChIKey of 6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is JBWNTRBWTTVVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-16(20)15-3-1-2-12-8-11(4-5-14(12)15)9-18-7-6-13(19)10-18/h4-5,8,13,15,19H,1-3,6-7,9-10H2,(H2,17,20).
What are the key properties of 6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 173179441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).