N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide

C16H19N3O — CID 60914057

IUPACN-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCCc2ccncc2)cc1
InChIInChI=1S/C16H19N3O/c1-13(20)19-16-4-2-15(3-5-16)12-18-11-8-14-6-9-17-10-7-14/h2-7,9-10,18H,8,11-12H2,1H3,(H,19,20)
InChIKeyGVHYBPLYIDHPGQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.37
Rot. Bonds6

About N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide

N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide (PubChem CID 60914057) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
PubChem CID60914057
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCCc2ccncc2)cc1
InChIInChI=1S/C16H19N3O/c1-13(20)19-16-4-2-15(3-5-16)12-18-11-8-14-6-9-17-10-7-14/h2-7,9-10,18H,8,11-12H2,1H3,(H,19,20)
InChIKeyGVHYBPLYIDHPGQ-UHFFFAOYSA-N
XLogP2.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline
CID 115212846
methyl 4-[(2-pyridin-4-ylethylamino)methyl]benzoate
CID 60649467
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
2-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetic acid
CID 103239967
N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide
CID 56825547
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
N-[4-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]phenyl]acetamide
CID 61214869
N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947860
N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride
CID 155821876
N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide
CID 11597008
3-[(4-acetamidophenyl)methylamino]propanamide
CID 43553315
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 27654042

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide (CID 60914057) is N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCCc2ccncc2)cc1.
What is the InChIKey of N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide?
The InChIKey is GVHYBPLYIDHPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-13(20)19-16-4-2-15(3-5-16)12-18-11-8-14-6-9-17-10-7-14/h2-7,9-10,18H,8,11-12H2,1H3,(H,19,20).
What are the key properties of N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide?
N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide has a molecular weight of 269.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 60914057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).