N-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide

C21H20FN3O — CID 166093949

IUPACN-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide
SMILESCc1ccc(-c2cc(-c3ccccc3)c(F)nc2N)cc1CCNC=O
InChIInChI=1S/C21H20FN3O/c1-14-7-8-17(11-16(14)9-10-24-13-26)19-12-18(20(22)25-21(19)23)15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H2,23,25)(H,24,26)
InChIKeyQHRWHLMZWBWCAF-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.73
Rot. Bonds6

About N-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide

N-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide (PubChem CID 166093949) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide
PubChem CID166093949
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide
SMILESCc1ccc(-c2cc(-c3ccccc3)c(F)nc2N)cc1CCNC=O
InChIInChI=1S/C21H20FN3O/c1-14-7-8-17(11-16(14)9-10-24-13-26)19-12-18(20(22)25-21(19)23)15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H2,23,25)(H,24,26)
InChIKeyQHRWHLMZWBWCAF-UHFFFAOYSA-N
XLogP3.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-{5-Fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine
CID 134686798
1-[7-(5-Fluoro-2-methylphenyl)isoquinolin-3-yl]-3-methylurea
CID 57410726
1-(7-(5-Fluoro-2-methylphenyl)isoquinolin-3-yl)-3-isopropylurea
CID 67974336
1-Ethyl-3-(7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl)urea
CID 71115087
6-[2-[3-Fluoro-5-[4-(methylaminomethyl)phenyl]phenyl]ethyl]-4-methylpyridin-2-amine
CID 137637529
3-[7-(5-Fluoro-2-methylphenyl)isoquinolin-3-yl]-1,1-dimethylurea
CID 57410728
1-Ethyl-3-[4-fluoro-7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]urea
CID 67974546
6-[4-({[2-(3-Fluorophenyl)ethyl]amino}methyl)phenyl]-4-Methylpyridin-2-Amine
CID 91809472
N-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide
CID 57239052
5-[4-(4-ethyl-2-fluorophenyl)-2,5-dimethylphenyl]-N-propan-2-ylpyridin-2-amine
CID 60087380
5-[2,5-difluoro-4-[3-fluoro-4-(2-methylpropyl)phenyl]-3,6-dimethylphenyl]-N-(3-methylbut-2-enyl)pyridin-2-amine
CID 60087395
N-[4-[2,5-dimethyl-4-[6-(3-methylbut-2-enylamino)-3-pyridinyl]phenyl]-3-fluorophenyl]-N-methylacetamide
CID 60087402

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide?
The IUPAC name of N-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide (CID 166093949) is N-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide.
What is the SMILES notation for N-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide?
The canonical SMILES for N-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide is Cc1ccc(-c2cc(-c3ccccc3)c(F)nc2N)cc1CCNC=O.
What is the InChIKey of N-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide?
The InChIKey is QHRWHLMZWBWCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14-7-8-17(11-16(14)9-10-24-13-26)19-12-18(20(22)25-21(19)23)15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H2,23,25)(H,24,26).
What are the key properties of N-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide?
N-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide has a molecular weight of 349.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-amino-6-fluoro-5-phenyl-3-pyridinyl)-2-methylphenyl]ethyl]formamide is sourced from PubChem (CID 166093949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).