N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide

C21H19F3N6O2 — CID 155249867

IUPACN,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCCn1c(C(=O)N(C)C)cc2cc(-c3cc(-c4noc(C(F)(F)F)n4)ccn3)ncc21
InChIInChI=1S/C21H19F3N6O2/c1-4-7-30-16(19(31)29(2)3)10-13-9-15(26-11-17(13)30)14-8-12(5-6-25-14)18-27-20(32-28-18)21(22,23)24/h5-6,8-11H,4,7H2,1-3H3
InChIKeyOTGMSUPMPOISKO-UHFFFAOYSA-N
MW444.42 g/mol
LogP4.28
Rot. Bonds5

About N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide

N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155249867) has the molecular formula C21H19F3N6O2 and a molecular weight of 444.42 g/mol. Its IUPAC name is N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155249867
Molecular FormulaC21H19F3N6O2
Molecular Weight444.42 g/mol
Exact Mass444.15
IUPAC NameN,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCCn1c(C(=O)N(C)C)cc2cc(-c3cc(-c4noc(C(F)(F)F)n4)ccn3)ncc21
InChIInChI=1S/C21H19F3N6O2/c1-4-7-30-16(19(31)29(2)3)10-13-9-15(26-11-17(13)30)14-8-12(5-6-25-14)18-27-20(32-28-18)21(22,23)24/h5-6,8-11H,4,7H2,1-3H3
InChIKeyOTGMSUPMPOISKO-UHFFFAOYSA-N
XLogP4.28
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
CID 138680285
1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-N-(3,3,3-trifluoropropyl)pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155249798
[(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone
CID 155368385
[1-butyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-3-yl]methanol
CID 155249796
5-azaspiro[2.4]heptan-5-yl-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanol
CID 162620282
N,N-bis(2-hydroxyethyl)-1-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
CID 167637658
N,N-dimethyl-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazole-3-carboxamide
CID 137412737
2-phenyl-N-[6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3-pyridinyl]acetamide
CID 138680135
3-[2-(2,5-dimethylpyrazol-3-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 175035214
3-[2-[5-(3-pyrazol-1-ylpropoxy)-2-pyridinyl]-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 138680295
3-(2-imidazo[1,5-c]pyrimidin-5-yl-4-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 155249893
2-(4,4-difluoropiperidin-1-yl)-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-pyridinyl]acetamide
CID 138680160

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155249867) is N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide is CCCn1c(C(=O)N(C)C)cc2cc(-c3cc(-c4noc(C(F)(F)F)n4)ccn3)ncc21.
What is the InChIKey of N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is OTGMSUPMPOISKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2/c1-4-7-30-16(19(31)29(2)3)10-13-9-15(26-11-17(13)30)14-8-12(5-6-25-14)18-27-20(32-28-18)21(22,23)24/h5-6,8-11H,4,7H2,1-3H3.
What are the key properties of N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide?
N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 444.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155249867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).