N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide

C16H14Cl2N2OS — CID 146090002

IUPACN-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide
SMILESCSC1(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)CC1
InChIInChI=1S/C16H14Cl2N2OS/c1-22-16(6-7-16)15(21)20-11-3-5-14(19-9-11)12-4-2-10(17)8-13(12)18/h2-5,8-9H,6-7H2,1H3,(H,20,21)
InChIKeyKAABORBNQCBSJO-UHFFFAOYSA-N
MW353.27 g/mol
LogP4.89
Rot. Bonds4

About N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide

N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide (PubChem CID 146090002) has the molecular formula C16H14Cl2N2OS and a molecular weight of 353.27 g/mol. Its IUPAC name is N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide
PubChem CID146090002
Molecular FormulaC16H14Cl2N2OS
Molecular Weight353.27 g/mol
Exact Mass352.02
IUPAC NameN-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide
SMILESCSC1(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)CC1
InChIInChI=1S/C16H14Cl2N2OS/c1-22-16(6-7-16)15(21)20-11-3-5-14(19-9-11)12-4-2-10(17)8-13(12)18/h2-5,8-9H,6-7H2,1H3,(H,20,21)
InChIKeyKAABORBNQCBSJO-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide?
The IUPAC name of N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide (CID 146090002) is N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide?
The canonical SMILES for N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide is CSC1(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)CC1.
What is the InChIKey of N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide?
The InChIKey is KAABORBNQCBSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2OS/c1-22-16(6-7-16)15(21)20-11-3-5-14(19-9-11)12-4-2-10(17)8-13(12)18/h2-5,8-9H,6-7H2,1H3,(H,20,21).
What are the key properties of N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide?
N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide has a molecular weight of 353.27 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dichlorophenyl)-3-pyridinyl]-1-methylsulfanylcyclopropane-1-carboxamide is sourced from PubChem (CID 146090002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).