3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide

C19H24N4O — CID 141345390

IUPAC3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide
SMILESNCCC1CCN(c2cccc(-c3cccc(C(N)=O)c3)n2)CC1
InChIInChI=1S/C19H24N4O/c20-10-7-14-8-11-23(12-9-14)18-6-2-5-17(22-18)15-3-1-4-16(13-15)19(21)24/h1-6,13-14H,7-12,20H2,(H2,21,24)
InChIKeyWWANOXJMCVGCON-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.41
Rot. Bonds5

About 3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide

3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide (PubChem CID 141345390) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide
PubChem CID141345390
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide
SMILESNCCC1CCN(c2cccc(-c3cccc(C(N)=O)c3)n2)CC1
InChIInChI=1S/C19H24N4O/c20-10-7-14-8-11-23(12-9-14)18-6-2-5-17(22-18)15-3-1-4-16(13-15)19(21)24/h1-6,13-14H,7-12,20H2,(H2,21,24)
InChIKeyWWANOXJMCVGCON-UHFFFAOYSA-N
XLogP2.41
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid
CID 67130428
1,3-thiazol-4-ylmethyl N-[2-[1-[6-[3-(dimethylcarbamoyl)phenyl]-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 140567371
(2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 67137713
3-(6-carbamoyl-2-pyridinyl)benzoic acid
CID 102340613
2-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine
CID 63586487
2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
CID 89454479
3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide
CID 68649585
[1-[6-[3-(cyanomethyl)phenyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid
CID 141345364
2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
CID 67134421
methyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 67130546
2-[1-[6-(3-ethoxyphenyl)-2-pyridinyl]piperidin-4-yl]ethyl-(1,3-thiazol-4-ylmethyl)carbamic acid
CID 67394814
2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
CID 67130483

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide?
The IUPAC name of 3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide (CID 141345390) is 3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide is NCCC1CCN(c2cccc(-c3cccc(C(N)=O)c3)n2)CC1.
What is the InChIKey of 3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide?
The InChIKey is WWANOXJMCVGCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c20-10-7-14-8-11-23(12-9-14)18-6-2-5-17(22-18)15-3-1-4-16(13-15)19(21)24/h1-6,13-14H,7-12,20H2,(H2,21,24).
What are the key properties of 3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide?
3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide has a molecular weight of 324.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(2-aminoethyl)piperidin-1-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 141345390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).