1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide

C18H16FN3O — CID 138047410

IUPAC1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccnc(CNC(=O)C2(c3cccc(C#N)c3)CC2)c1F
InChIInChI=1S/C18H16FN3O/c1-12-5-8-21-15(16(12)19)11-22-17(23)18(6-7-18)14-4-2-3-13(9-14)10-20/h2-5,8-9H,6-7,11H2,1H3,(H,22,23)
InChIKeyLLYDVMJNJCHIBH-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.75
Rot. Bonds4

About 1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide

1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide (PubChem CID 138047410) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
PubChem CID138047410
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccnc(CNC(=O)C2(c3cccc(C#N)c3)CC2)c1F
InChIInChI=1S/C18H16FN3O/c1-12-5-8-21-15(16(12)19)11-22-17(23)18(6-7-18)14-4-2-3-13(9-14)10-20/h2-5,8-9H,6-7,11H2,1H3,(H,22,23)
InChIKeyLLYDVMJNJCHIBH-UHFFFAOYSA-N
XLogP2.75
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 138006308
1-(3-cyanophenyl)-N-[5-(4-fluorophenoxy)-2-pyridinyl]cyclopropane-1-carboxamide
CID 167789716
1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide
CID 78995295
1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438164
1-(3-cyanophenyl)cyclohexane-1-carboxylic acid
CID 117330593
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 86920088
N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974506
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 122153691
1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 56818493
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82797784

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide (CID 138047410) is 1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide is Cc1ccnc(CNC(=O)C2(c3cccc(C#N)c3)CC2)c1F.
What is the InChIKey of 1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is LLYDVMJNJCHIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-12-5-8-21-15(16(12)19)11-22-17(23)18(6-7-18)14-4-2-3-13(9-14)10-20/h2-5,8-9H,6-7,11H2,1H3,(H,22,23).
What are the key properties of 1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 138047410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).