N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide

C21H24FN3O — CID 18833140

IUPACN-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCCCCNC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12
InChIInChI=1S/C21H24FN3O/c1-2-3-12-24-20(26)9-6-7-16-17-14-15(22)10-11-18(17)25-21(16)19-8-4-5-13-23-19/h4-5,8,10-11,13-14,25H,2-3,6-7,9,12H2,1H3,(H,24,26)
InChIKeyUTTNFDHDQHTPJP-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.61
Rot. Bonds8

About N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide

N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18833140) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18833140
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC NameN-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCCCCNC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12
InChIInChI=1S/C21H24FN3O/c1-2-3-12-24-20(26)9-6-7-16-17-14-15(22)10-11-18(17)25-21(16)19-8-4-5-13-23-19/h4-5,8,10-11,13-14,25H,2-3,6-7,9,12H2,1H3,(H,24,26)
InChIKeyUTTNFDHDQHTPJP-UHFFFAOYSA-N
XLogP4.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832762
4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 18833128
ethyl 2-[4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18833262
N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832681
N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833186
N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832746
N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833113
4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide
CID 18833173
3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate
CID 7745015
4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18833151
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide
CID 18832745
N-(2,4-dimethyl-6-nitrophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833244

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18833140) is N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide is CCCCNC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12.
What is the InChIKey of N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is UTTNFDHDQHTPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-2-3-12-24-20(26)9-6-7-16-17-14-15(22)10-11-18(17)25-21(16)19-8-4-5-13-23-19/h4-5,8,10-11,13-14,25H,2-3,6-7,9,12H2,1H3,(H,24,26).
What are the key properties of N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 353.44 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18833140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).