4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide

C16H23N3O — CID 124693465

IUPAC4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide
SMILESC[C@@H]1C[C@@H](NC(=O)c2ccc(CN)cc2)CN1C1CC1
InChIInChI=1S/C16H23N3O/c1-11-8-14(10-19(11)15-6-7-15)18-16(20)13-4-2-12(9-17)3-5-13/h2-5,11,14-15H,6-10,17H2,1H3,(H,18,20)/t11-,14-/m1/s1
InChIKeyWGURUHBBAVFDOY-BXUZGUMPSA-N
MW273.38 g/mol
LogP1.50
Rot. Bonds4

About 4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide

4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide (PubChem CID 124693465) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide
PubChem CID124693465
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide
SMILESC[C@@H]1C[C@@H](NC(=O)c2ccc(CN)cc2)CN1C1CC1
InChIInChI=1S/C16H23N3O/c1-11-8-14(10-19(11)15-6-7-15)18-16(20)13-4-2-12(9-17)3-5-13/h2-5,11,14-15H,6-10,17H2,1H3,(H,18,20)/t11-,14-/m1/s1
InChIKeyWGURUHBBAVFDOY-BXUZGUMPSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride
CID 119900325
4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide
CID 64740085
4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892080
4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide
CID 125152934
(2S)-2-amino-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-phenylpropanamide
CID 124693344
4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103797799
4-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 110463043
2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide
CID 115871526
4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 119289463
2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methylpropanamide
CID 119900290
4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide
CID 82725520
4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 115715680

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide (CID 124693465) is 4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide is C[C@@H]1C[C@@H](NC(=O)c2ccc(CN)cc2)CN1C1CC1.
What is the InChIKey of 4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide?
The InChIKey is WGURUHBBAVFDOY-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-8-14(10-19(11)15-6-7-15)18-16(20)13-4-2-12(9-17)3-5-13/h2-5,11,14-15H,6-10,17H2,1H3,(H,18,20)/t11-,14-/m1/s1.
What are the key properties of 4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide?
4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide has a molecular weight of 273.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 124693465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).