N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide

C15H17N3O — CID 27654042

IUPACN-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCc2cccnc2)cc1
InChIInChI=1S/C15H17N3O/c1-12(19)18-15-6-4-13(5-7-15)9-17-11-14-3-2-8-16-10-14/h2-8,10,17H,9,11H2,1H3,(H,18,19)
InChIKeyJKFFLDCVBLLAGA-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.33
Rot. Bonds5

About N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide

N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide (PubChem CID 27654042) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
PubChem CID27654042
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCc2cccnc2)cc1
InChIInChI=1S/C15H17N3O/c1-12(19)18-15-6-4-13(5-7-15)9-17-11-14-3-2-8-16-10-14/h2-8,10,17H,9,11H2,1H3,(H,18,19)
InChIKeyJKFFLDCVBLLAGA-UHFFFAOYSA-N
XLogP2.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]acetamide
CID 7678953
tert-butyl N-[4-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]phenyl]carbamate
CID 139943635
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide
CID 123274591
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157895
N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline
CID 1075944
N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide
CID 117085966
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
CID 60914057
6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157985

Frequently Asked Questions

What is the IUPAC name of N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide (CID 27654042) is N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCc2cccnc2)cc1.
What is the InChIKey of N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide?
The InChIKey is JKFFLDCVBLLAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12(19)18-15-6-4-13(5-7-15)9-17-11-14-3-2-8-16-10-14/h2-8,10,17H,9,11H2,1H3,(H,18,19).
What are the key properties of N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide?
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide has a molecular weight of 255.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 27654042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).