N-[4-chloro-3-(1H-indol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C22H15ClF3N3O — CID 45485794

IUPACN-[4-chloro-3-(1H-indol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C22H15ClF3N3O/c1-12-15(7-9-20(27-12)22(24,25)26)21(30)28-14-6-8-17(23)16(11-14)19-10-13-4-2-3-5-18(13)29-19/h2-11,29H,1H3,(H,28,30)
InChIKeyIGXQTOXJKIJNKG-UHFFFAOYSA-N
MW429.83 g/mol
LogP6.46
Rot. Bonds3

About N-[4-chloro-3-(1H-indol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-chloro-3-(1H-indol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 45485794) has the molecular formula C22H15ClF3N3O and a molecular weight of 429.83 g/mol. Its IUPAC name is N-[4-chloro-3-(1H-indol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1H-indol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID45485794
Molecular FormulaC22H15ClF3N3O
Molecular Weight429.83 g/mol
Exact Mass429.09
IUPAC NameN-[4-chloro-3-(1H-indol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C22H15ClF3N3O/c1-12-15(7-9-20(27-12)22(24,25)26)21(30)28-14-6-8-17(23)16(11-14)19-10-13-4-2-3-5-18(13)29-19/h2-11,29H,1H3,(H,28,30)
InChIKeyIGXQTOXJKIJNKG-UHFFFAOYSA-N
XLogP6.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.83
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1H-indol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(1H-indol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 45485794) is N-[4-chloro-3-(1H-indol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(1H-indol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(1H-indol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cc3ccccc3[nH]2)c1.
What is the InChIKey of N-[4-chloro-3-(1H-indol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IGXQTOXJKIJNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O/c1-12-15(7-9-20(27-12)22(24,25)26)21(30)28-14-6-8-17(23)16(11-14)19-10-13-4-2-3-5-18(13)29-19/h2-11,29H,1H3,(H,28,30).
What are the key properties of N-[4-chloro-3-(1H-indol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-(1H-indol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 429.83 g/mol, XLogP of 6.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1H-indol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 45485794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).