3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide

C18H18Cl2N2O2 — CID 121444070

IUPAC3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide
SMILESCc1ncc(Cl)c(N(C)C(=O)c2cccc(OCC3CC3)c2)c1Cl
InChIInChI=1S/C18H18Cl2N2O2/c1-11-16(20)17(15(19)9-21-11)22(2)18(23)13-4-3-5-14(8-13)24-10-12-6-7-12/h3-5,8-9,12H,6-7,10H2,1-2H3
InChIKeyJMDKLRHVJJRCKH-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.76
Rot. Bonds5

About 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide

3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide (PubChem CID 121444070) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide
PubChem CID121444070
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide
SMILESCc1ncc(Cl)c(N(C)C(=O)c2cccc(OCC3CC3)c2)c1Cl
InChIInChI=1S/C18H18Cl2N2O2/c1-11-16(20)17(15(19)9-21-11)22(2)18(23)13-4-3-5-14(8-13)24-10-12-6-7-12/h3-5,8-9,12H,6-7,10H2,1-2H3
InChIKeyJMDKLRHVJJRCKH-UHFFFAOYSA-N
XLogP4.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide?
The IUPAC name of 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide (CID 121444070) is 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide is Cc1ncc(Cl)c(N(C)C(=O)c2cccc(OCC3CC3)c2)c1Cl.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide?
The InChIKey is JMDKLRHVJJRCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-11-16(20)17(15(19)9-21-11)22(2)18(23)13-4-3-5-14(8-13)24-10-12-6-7-12/h3-5,8-9,12H,6-7,10H2,1-2H3.
What are the key properties of 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide?
3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide has a molecular weight of 365.26 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide is sourced from PubChem (CID 121444070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).