N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C18H18FN3O — CID 71013623

IUPACN-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1c[nH]c2ncc(-c3cccc(F)c3)cc12
InChIInChI=1S/C18H18FN3O/c1-3-11(2)22-18(23)16-10-21-17-15(16)8-13(9-20-17)12-5-4-6-14(19)7-12/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23)
InChIKeySJWOHTXNAWICGB-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.90
Rot. Bonds4

About N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 71013623) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID71013623
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC NameN-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1c[nH]c2ncc(-c3cccc(F)c3)cc12
InChIInChI=1S/C18H18FN3O/c1-3-11(2)22-18(23)16-10-21-17-15(16)8-13(9-20-17)12-5-4-6-14(19)7-12/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23)
InChIKeySJWOHTXNAWICGB-UHFFFAOYSA-N
XLogP3.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95056530
N-(2,3-dihydro-1H-inden-5-yl)-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 10193872
N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 93014221
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide
CID 109181549
N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide
CID 92883220
N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 92895825
5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118562635
N-[(2R)-butan-2-yl]-2-[(3-fluorobenzoyl)amino]benzamide
CID 26706214
[5-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone
CID 58086573
5-(3-carboxyphenyl)-3-[2,6-difluoro-3-[propyl(sulfinato)amino]benzoyl]-1H-pyrrolo[2,3-b]pyridine
CID 90932588
N-butan-2-yl-2-chloro-5-fluorobenzamide
CID 129166839

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 71013623) is N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is CCC(C)NC(=O)c1c[nH]c2ncc(-c3cccc(F)c3)cc12.
What is the InChIKey of N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is SJWOHTXNAWICGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-3-11(2)22-18(23)16-10-21-17-15(16)8-13(9-20-17)12-5-4-6-14(19)7-12/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 71013623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).