(1R)-2,2-dichloro-1-methyl-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide

C11H12Cl2N2O — CID 95594030

IUPAC(1R)-2,2-dichloro-1-methyl-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccncc1NC(=O)[C@@]1(C)CC1(Cl)Cl
InChIInChI=1S/C11H12Cl2N2O/c1-7-3-4-14-5-8(7)15-9(16)10(2)6-11(10,12)13/h3-5H,6H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyNPJURBIVCYQKEY-SNVBAGLBSA-N
MW259.14 g/mol
LogP2.91
Rot. Bonds2

About (1R)-2,2-dichloro-1-methyl-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide

(1R)-2,2-dichloro-1-methyl-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 95594030) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is (1R)-2,2-dichloro-1-methyl-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-1-methyl-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID95594030
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name(1R)-2,2-dichloro-1-methyl-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccncc1NC(=O)[C@@]1(C)CC1(Cl)Cl
InChIInChI=1S/C11H12Cl2N2O/c1-7-3-4-14-5-8(7)15-9(16)10(2)6-11(10,12)13/h3-5H,6H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyNPJURBIVCYQKEY-SNVBAGLBSA-N
XLogP2.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-1-methyl-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-1-methyl-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide (CID 95594030) is (1R)-2,2-dichloro-1-methyl-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-1-methyl-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-1-methyl-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide is Cc1ccncc1NC(=O)[C@@]1(C)CC1(Cl)Cl.
What is the InChIKey of (1R)-2,2-dichloro-1-methyl-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is NPJURBIVCYQKEY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-7-3-4-14-5-8(7)15-9(16)10(2)6-11(10,12)13/h3-5H,6H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (1R)-2,2-dichloro-1-methyl-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide?
(1R)-2,2-dichloro-1-methyl-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 259.14 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-1-methyl-N-(4-methyl-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95594030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).