N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide

C15H17N3O — CID 104749173

IUPACN-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(C)nc2)cc1
InChIInChI=1S/C15H17N3O/c1-11-3-4-13(9-16-11)10-17-14-5-7-15(8-6-14)18-12(2)19/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKeyFYVKKUODTOWUJN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.96
Rot. Bonds4

About N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide

N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide (PubChem CID 104749173) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
PubChem CID104749173
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(C)nc2)cc1
InChIInChI=1S/C15H17N3O/c1-11-3-4-13(9-16-11)10-17-14-5-7-15(8-6-14)18-12(2)19/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKeyFYVKKUODTOWUJN-UHFFFAOYSA-N
XLogP2.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749373
N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline
CID 104821896
propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate
CID 104821830
4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749224
2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 62989638
2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide
CID 104749408
4-[(4-acetamidophenyl)methylamino]benzoic acid
CID 43139218
4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine
CID 106750778
N-(4-ethylphenyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 47259711
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbothioamide
CID 115488572
N-[(6-methyl-3-pyridinyl)methyl]quinoxalin-6-amine
CID 104821970
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839878

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide (CID 104749173) is N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide is CC(=O)Nc1ccc(NCc2ccc(C)nc2)cc1.
What is the InChIKey of N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide?
The InChIKey is FYVKKUODTOWUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-3-4-13(9-16-11)10-17-14-5-7-15(8-6-14)18-12(2)19/h3-9,17H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide?
N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide has a molecular weight of 255.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 104749173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).