N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide

C17H20N4O — CID 119516230

IUPACN-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESNc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cn1
InChIInChI=1S/C17H20N4O/c18-16-7-6-15(11-19-16)20-17(22)14-5-3-4-13(10-14)12-21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H2,18,19)(H,20,22)
InChIKeyLZSJQZDJKUIBRM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.51
Rot. Bonds4

About N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide

N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 119516230) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID119516230
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESNc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cn1
InChIInChI=1S/C17H20N4O/c18-16-7-6-15(11-19-16)20-17(22)14-5-3-4-13(10-14)12-21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H2,18,19)(H,20,22)
InChIKeyLZSJQZDJKUIBRM-UHFFFAOYSA-N
XLogP2.51
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 52730864
N-(6-amino-3-pyridinyl)-3-chlorobenzamide
CID 62899569
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide
CID 95134564
3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide
CID 95134565
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 120566098
N-(2-piperidin-1-ylphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560100

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide (CID 119516230) is N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide is Nc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is LZSJQZDJKUIBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c18-16-7-6-15(11-19-16)20-17(22)14-5-3-4-13(10-14)12-21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H2,18,19)(H,20,22).
What are the key properties of N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide?
N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 119516230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).