3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide

C18H21N3O2 — CID 110122033

IUPAC3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ncccc1-c1cccc(CNC(C)=O)c1
InChIInChI=1S/C18H21N3O2/c1-3-9-20-18(23)17-16(8-5-10-19-17)15-7-4-6-14(11-15)12-21-13(2)22/h4-8,10-11H,3,9,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyKLMOTXXUWXFKML-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.52
Rot. Bonds6

About 3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide

3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide (PubChem CID 110122033) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide
PubChem CID110122033
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ncccc1-c1cccc(CNC(C)=O)c1
InChIInChI=1S/C18H21N3O2/c1-3-9-20-18(23)17-16(8-5-10-19-17)15-7-4-6-14(11-15)12-21-13(2)22/h4-8,10-11H,3,9,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyKLMOTXXUWXFKML-UHFFFAOYSA-N
XLogP2.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 110121992
3-[3-(acetamidomethyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]pyridine-2-carboxamide
CID 110122093
3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 110122116
3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 110122025
N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide
CID 144513421
N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide
CID 123422465
3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 125011392
N-[[3-(4-hydroxyphenyl)phenyl]methyl]acetamide
CID 56704021
N-[[3-(6-amino-3-pyridinyl)phenyl]methyl]acetamide
CID 90125227
N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide
CID 2901283
3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 110122105
3-[[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]methyl]-N-propylbenzamide;hydroiodide
CID 110968385

Frequently Asked Questions

What is the IUPAC name of 3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide?
The IUPAC name of 3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide (CID 110122033) is 3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide?
The canonical SMILES for 3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide is CCCNC(=O)c1ncccc1-c1cccc(CNC(C)=O)c1.
What is the InChIKey of 3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide?
The InChIKey is KLMOTXXUWXFKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-9-20-18(23)17-16(8-5-10-19-17)15-7-4-6-14(11-15)12-21-13(2)22/h4-8,10-11H,3,9,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide?
3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 110122033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).