4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide

C15H11F2N3O2 — CID 38427829

IUPAC4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide
SMILESO=C(Nc1ccncc1)c1cc2c(OC(F)F)cccc2[nH]1
InChIInChI=1S/C15H11F2N3O2/c16-15(17)22-13-3-1-2-11-10(13)8-12(20-11)14(21)19-9-4-6-18-7-5-9/h1-8,15,20H,(H,18,19,21)
InChIKeyQYVHGKMZKOGWGN-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.42
Rot. Bonds4

About 4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide

4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide (PubChem CID 38427829) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide
PubChem CID38427829
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC Name4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide
SMILESO=C(Nc1ccncc1)c1cc2c(OC(F)F)cccc2[nH]1
InChIInChI=1S/C15H11F2N3O2/c16-15(17)22-13-3-1-2-11-10(13)8-12(20-11)14(21)19-9-4-6-18-7-5-9/h1-8,15,20H,(H,18,19,21)
InChIKeyQYVHGKMZKOGWGN-UHFFFAOYSA-N
XLogP3.42
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide
CID 111425708
methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate
CID 167809954
N-[2-(difluoromethoxy)phenyl]-1H-indole-2-carboxamide
CID 51145679
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide
CID 167955654
N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide
CID 110864886
4-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 66841602
N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 36852655
N-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide
CID 46934765
4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 36865190
2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 56563825
4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide
CID 32639423

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide?
The IUPAC name of 4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide (CID 38427829) is 4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide?
The canonical SMILES for 4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide is O=C(Nc1ccncc1)c1cc2c(OC(F)F)cccc2[nH]1.
What is the InChIKey of 4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide?
The InChIKey is QYVHGKMZKOGWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c16-15(17)22-13-3-1-2-11-10(13)8-12(20-11)14(21)19-9-4-6-18-7-5-9/h1-8,15,20H,(H,18,19,21).
What are the key properties of 4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide?
4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide has a molecular weight of 303.27 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 38427829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).