N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide

C11H13ClN2O — CID 103841267

IUPACN-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C11H13ClN2O/c1-11(2)6-7(11)10(15)14-9-5-3-4-8(12)13-9/h3-5,7H,6H2,1-2H3,(H,13,14,15)
InChIKeyMCFLKQQQNMJXFK-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.72
Rot. Bonds2

About N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 103841267) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID103841267
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C11H13ClN2O/c1-11(2)6-7(11)10(15)14-9-5-3-4-8(12)13-9/h3-5,7H,6H2,1-2H3,(H,13,14,15)
InChIKeyMCFLKQQQNMJXFK-UHFFFAOYSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107186552
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002399
N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 79946508
2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide
CID 82767561
N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103578310
N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide
CID 107437364
N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide
CID 115669489
6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid
CID 107175489
N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 115752894
N-(6-chloro-2-pyridinyl)-2-propoxyacetamide
CID 103739833
6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine
CID 106662703
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 103841267) is N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is MCFLKQQQNMJXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-11(2)6-7(11)10(15)14-9-5-3-4-8(12)13-9/h3-5,7H,6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 224.69 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 103841267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).