1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

C18H16FN3O — CID 113210584

IUPAC1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccn1)C1(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C18H16FN3O/c19-12-4-5-16-14(9-12)15(11-21-16)18(6-7-18)17(23)22-10-13-3-1-2-8-20-13/h1-5,8-9,11,21H,6-7,10H2,(H,22,23)
InChIKeyUKHFRVRECZAFCE-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.05
Rot. Bonds4

About 1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 113210584) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID113210584
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccn1)C1(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C18H16FN3O/c19-12-4-5-16-14(9-12)15(11-21-16)18(6-7-18)17(23)22-10-13-3-1-2-8-20-13/h1-5,8-9,11,21H,6-7,10H2,(H,22,23)
InChIKeyUKHFRVRECZAFCE-UHFFFAOYSA-N
XLogP3.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 113211076
2-(5-fluoro-1H-indol-3-yl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 113209901
N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210646
1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 110438421
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210711
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 113211109
1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 115913218
1-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 113210764
1-(6-fluoro-1H-indol-3-yl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 113211186
1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide
CID 110605839

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (CID 113210584) is 1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1ccccn1)C1(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is UKHFRVRECZAFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-12-4-5-16-14(9-12)15(11-21-16)18(6-7-18)17(23)22-10-13-3-1-2-8-20-13/h1-5,8-9,11,21H,6-7,10H2,(H,22,23).
What are the key properties of 1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113210584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).