2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide

C11H12Cl2N2O — CID 47101185

IUPAC2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2ccncc2)CC1(Cl)Cl
InChIInChI=1S/C11H12Cl2N2O/c1-10(7-11(10,12)13)9(16)15-6-8-2-4-14-5-3-8/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyATMJYNVUMMKVBW-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.28
Rot. Bonds3

About 2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide

2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 47101185) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
PubChem CID47101185
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2ccncc2)CC1(Cl)Cl
InChIInChI=1S/C11H12Cl2N2O/c1-10(7-11(10,12)13)9(16)15-6-8-2-4-14-5-3-8/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyATMJYNVUMMKVBW-UHFFFAOYSA-N
XLogP2.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 51213391
2,2-dichloro-N-[(3-fluorophenyl)methyl]-1-methylcyclopropane-1-carboxamide
CID 46447833
(1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide
CID 51727918
1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 91273952
2,2-dichloro-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 46613000
(1R)-2,2-dichloro-1-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 42473931
(1S)-2,2-dichloro-N-[2-(4-chlorophenyl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 2229042
2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 82764201
ethane;pyridin-4-ylmethylurea
CID 144877282
1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea
CID 108909886
trans-(1S,3S)-2,2-dimethyl-3-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 52902154
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide (CID 47101185) is 2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide is CC1(C(=O)NCc2ccncc2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is ATMJYNVUMMKVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-10(7-11(10,12)13)9(16)15-6-8-2-4-14-5-3-8/h2-5H,6-7H2,1H3,(H,15,16).
What are the key properties of 2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 259.14 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 47101185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).