6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide

C18H17F2N3O2 — CID 170068393

IUPAC6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide
SMILESCCCCOc1ccc(C(=O)Nc2c[nH]c3cc(F)c(F)cc23)cn1
InChIInChI=1S/C18H17F2N3O2/c1-2-3-6-25-17-5-4-11(9-22-17)18(24)23-16-10-21-15-8-14(20)13(19)7-12(15)16/h4-5,7-10,21H,2-3,6H2,1H3,(H,23,24)
InChIKeyJWXHKGGOLOWWCO-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.27
Rot. Bonds6

About 6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide

6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide (PubChem CID 170068393) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide
PubChem CID170068393
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide
SMILESCCCCOc1ccc(C(=O)Nc2c[nH]c3cc(F)c(F)cc23)cn1
InChIInChI=1S/C18H17F2N3O2/c1-2-3-6-25-17-5-4-11(9-22-17)18(24)23-16-10-21-15-8-14(20)13(19)7-12(15)16/h4-5,7-10,21H,2-3,6H2,1H3,(H,23,24)
InChIKeyJWXHKGGOLOWWCO-UHFFFAOYSA-N
XLogP4.27
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154652690
N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 154652693
N-(5,6-difluoro-1H-indol-3-yl)-6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxamide
CID 162445062
4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide
CID 162444906
6-butoxypyridine-3-carboxamide
CID 506622
N-methyl-6-propoxypyridine-3-carboxamide
CID 66904923
6-butoxy-N-cycloheptylpyridine-3-carboxamide
CID 58368248
N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide
CID 154652719
N-(5,6-difluoro-1H-indol-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 169016662
N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide
CID 162444765
N-[2-(5,6-difluoro-1H-indol-3-yl)-4-propoxyphenyl]prop-2-enamide
CID 162705290
N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide
CID 87002141

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide (CID 170068393) is 6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide is CCCCOc1ccc(C(=O)Nc2c[nH]c3cc(F)c(F)cc23)cn1.
What is the InChIKey of 6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide?
The InChIKey is JWXHKGGOLOWWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-2-3-6-25-17-5-4-11(9-22-17)18(24)23-16-10-21-15-8-14(20)13(19)7-12(15)16/h4-5,7-10,21H,2-3,6H2,1H3,(H,23,24).
What are the key properties of 6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide?
6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 170068393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).