1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide

C20H17FN2OS — CID 91630268

IUPAC1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cccnc1-c1ccsc1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H17FN2OS/c21-17-5-3-16(4-6-17)20(8-9-20)19(24)23-12-14-2-1-10-22-18(14)15-7-11-25-13-15/h1-7,10-11,13H,8-9,12H2,(H,23,24)
InChIKeyVXJACCIVBCZCEE-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.30
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide (PubChem CID 91630268) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
PubChem CID91630268
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC Name1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cccnc1-c1ccsc1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H17FN2OS/c21-17-5-3-16(4-6-17)20(8-9-20)19(24)23-12-14-2-1-10-22-18(14)15-7-11-25-13-15/h1-7,10-11,13H,8-9,12H2,(H,23,24)
InChIKeyVXJACCIVBCZCEE-UHFFFAOYSA-N
XLogP4.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 60976922
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 121177783
4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 121177843
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 91630191
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-6-carboxamide
CID 121177736
4-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 91625766
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 121177628
5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 91630166
4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 91630266
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 121177637
1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 138996652

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide (CID 91630268) is 1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide is O=C(NCc1cccnc1-c1ccsc1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is VXJACCIVBCZCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS/c21-17-5-3-16(4-6-17)20(8-9-20)19(24)23-12-14-2-1-10-22-18(14)15-7-11-25-13-15/h1-7,10-11,13H,8-9,12H2,(H,23,24).
What are the key properties of 1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 91630268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).