2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide

C22H21F3N4O — CID 42636408

IUPAC2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide
SMILESCN(C)c1nc(NCc2ccc(F)cc2)ccc1NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C22H21F3N4O/c1-29(2)22-19(27-21(30)12-15-5-8-17(24)18(25)11-15)9-10-20(28-22)26-13-14-3-6-16(23)7-4-14/h3-11H,12-13H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyBFBGMSJRFAJZFG-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.36
Rot. Bonds7

About 2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide

2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide (PubChem CID 42636408) has the molecular formula C22H21F3N4O and a molecular weight of 414.43 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide
PubChem CID42636408
Molecular FormulaC22H21F3N4O
Molecular Weight414.43 g/mol
Exact Mass414.17
IUPAC Name2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide
SMILESCN(C)c1nc(NCc2ccc(F)cc2)ccc1NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C22H21F3N4O/c1-29(2)22-19(27-21(30)12-15-5-8-17(24)18(25)11-15)9-10-20(28-22)26-13-14-3-6-16(23)7-4-14/h3-11H,12-13H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyBFBGMSJRFAJZFG-UHFFFAOYSA-N
XLogP4.36
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine
CID 58097580
N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-phenylbutanamide
CID 66861083
2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 112698162
2-(3-fluorophenyl)-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041483
[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea
CID 67981379
ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-bromobutanamide
CID 110187575
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267
2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 106909849
6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109119521
N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 7961331
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;methanesulfonate
CID 131740296

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide (CID 42636408) is 2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide is CN(C)c1nc(NCc2ccc(F)cc2)ccc1NC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide?
The InChIKey is BFBGMSJRFAJZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O/c1-29(2)22-19(27-21(30)12-15-5-8-17(24)18(25)11-15)9-10-20(28-22)26-13-14-3-6-16(23)7-4-14/h3-11H,12-13H2,1-2H3,(H,26,28)(H,27,30).
What are the key properties of 2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide?
2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide has a molecular weight of 414.43 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide is sourced from PubChem (CID 42636408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).