2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide

C21H20FN3O2 — CID 113027442

IUPAC2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
SMILESCOc1ccc(CNc2ccc(NC(=O)Cc3cccc(F)c3)nc2)cc1
InChIInChI=1S/C21H20FN3O2/c1-27-19-8-5-15(6-9-19)13-23-18-7-10-20(24-14-18)25-21(26)12-16-3-2-4-17(22)11-16/h2-11,14,23H,12-13H2,1H3,(H,24,25,26)
InChIKeyKYKUAVANFZRKIN-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.02
Rot. Bonds7

About 2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide

2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide (PubChem CID 113027442) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
PubChem CID113027442
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
SMILESCOc1ccc(CNc2ccc(NC(=O)Cc3cccc(F)c3)nc2)cc1
InChIInChI=1S/C21H20FN3O2/c1-27-19-8-5-15(6-9-19)13-23-18-7-10-20(24-14-18)25-21(26)12-16-3-2-4-17(22)11-16/h2-11,14,23H,12-13H2,1H3,(H,24,25,26)
InChIKeyKYKUAVANFZRKIN-UHFFFAOYSA-N
XLogP4.02
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113027443
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113027011
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190539
methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027448
N-[5-(4-ethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032512
2-(3-fluorophenyl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 112987540
3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028470
N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113035220
2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 113023879
N-[(3-fluorophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802193
2-(3,4-dimethoxyphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026619
2-(3-fluorophenyl)-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041483

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide (CID 113027442) is 2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide is COc1ccc(CNc2ccc(NC(=O)Cc3cccc(F)c3)nc2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide?
The InChIKey is KYKUAVANFZRKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-27-19-8-5-15(6-9-19)13-23-18-7-10-20(24-14-18)25-21(26)12-16-3-2-4-17(22)11-16/h2-11,14,23H,12-13H2,1H3,(H,24,25,26).
What are the key properties of 2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide?
2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide has a molecular weight of 365.41 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide is sourced from PubChem (CID 113027442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).