3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

C20H27N3O2 — CID 119716916

IUPAC3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H27N3O2/c21-19-16-8-7-15(10-16)18(19)20(25)22-11-13-3-5-14(6-4-13)12-23-9-1-2-17(23)24/h3-6,15-16,18-19H,1-2,7-12,21H2,(H,22,25)
InChIKeyQQCZWEHJUOUMPK-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.80
Rot. Bonds5

About 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119716916) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119716916
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H27N3O2/c21-19-16-8-7-15(10-16)18(19)20(25)22-11-13-3-5-14(6-4-13)12-23-9-1-2-17(23)24/h3-6,15-16,18-19H,1-2,7-12,21H2,(H,22,25)
InChIKeyQQCZWEHJUOUMPK-UHFFFAOYSA-N
XLogP1.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119717021
9-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986897
3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119716914
3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119845461
3-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119694814
3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103808876
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
3-amino-N-[(4-methylsulfanylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119747894
3-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119737448
4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119285773
3-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119701616
3-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119699212

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119716916) is 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NCc1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QQCZWEHJUOUMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c21-19-16-8-7-15(10-16)18(19)20(25)22-11-13-3-5-14(6-4-13)12-23-9-1-2-17(23)24/h3-6,15-16,18-19H,1-2,7-12,21H2,(H,22,25).
What are the key properties of 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119716916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).