N-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide

C13H17N3O — CID 79508536

IUPACN-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC2=NCCCC2)c1
InChIInChI=1S/C13H17N3O/c1-10(17)15-11-5-4-6-12(9-11)16-13-7-2-3-8-14-13/h4-6,9H,2-3,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyNUYMEOQZANMCGO-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.64
Rot. Bonds2

About N-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide

N-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide (PubChem CID 79508536) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide
PubChem CID79508536
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC2=NCCCC2)c1
InChIInChI=1S/C13H17N3O/c1-10(17)15-11-5-4-6-12(9-11)16-13-7-2-3-8-14-13/h4-6,9H,2-3,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyNUYMEOQZANMCGO-UHFFFAOYSA-N
XLogP2.64
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 7059356
N-(3-iodophenyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79507899
N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide
CID 2313026
N-(3-phenoxyphenyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508246
4-(2,3,4,5-tetrahydropyridin-6-ylamino)phenol
CID 115018233
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
N-(4-fluoro-3-methylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79508380
(2R)-2-acetamido-3-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]butanamide
CID 9477293
N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide
CID 115361118
4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)phenol;hydrochloride
CID 171109448
N-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine bromide
CID 21176981
N-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine chloride
CID 21177472

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide?
The IUPAC name of N-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide (CID 79508536) is N-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide?
The canonical SMILES for N-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide is CC(=O)Nc1cccc(NC2=NCCCC2)c1.
What is the InChIKey of N-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide?
The InChIKey is NUYMEOQZANMCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(17)15-11-5-4-6-12(9-11)16-13-7-2-3-8-14-13/h4-6,9H,2-3,7-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide?
N-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide has a molecular weight of 231.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetamide is sourced from PubChem (CID 79508536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).