N-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide

C21H19ClFN3O — CID 109236369

IUPACN-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cncc(NCCc2ccccc2F)c1
InChIInChI=1S/C21H19ClFN3O/c1-14-10-17(22)6-7-20(14)26-21(27)16-11-18(13-24-12-16)25-9-8-15-4-2-3-5-19(15)23/h2-7,10-13,25H,8-9H2,1H3,(H,26,27)
InChIKeyBBMZFQDFECFOEX-UHFFFAOYSA-N
MW383.85 g/mol
LogP5.09
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide

N-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide (PubChem CID 109236369) has the molecular formula C21H19ClFN3O and a molecular weight of 383.85 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
PubChem CID109236369
Molecular FormulaC21H19ClFN3O
Molecular Weight383.85 g/mol
Exact Mass383.12
IUPAC NameN-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cncc(NCCc2ccccc2F)c1
InChIInChI=1S/C21H19ClFN3O/c1-14-10-17(22)6-7-20(14)26-21(27)16-11-18(13-24-12-16)25-9-8-15-4-2-3-5-19(15)23/h2-7,10-13,25H,8-9H2,1H3,(H,26,27)
InChIKeyBBMZFQDFECFOEX-UHFFFAOYSA-N
XLogP5.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.85
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chloro-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236280
N-(2-ethyl-6-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236356
5-[(2-fluorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109233450
methyl 2-[[5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109236389
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106318
5-[2-(2-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109236376
N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224263
N-[4-(dimethylamino)phenyl]-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236392
N-[(2-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109233796
N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244302
N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233461
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233471

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide (CID 109236369) is N-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cncc(NCCc2ccccc2F)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is BBMZFQDFECFOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O/c1-14-10-17(22)6-7-20(14)26-21(27)16-11-18(13-24-12-16)25-9-8-15-4-2-3-5-19(15)23/h2-7,10-13,25H,8-9H2,1H3,(H,26,27).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide?
N-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide has a molecular weight of 383.85 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109236369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).