N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide

C11H15ClN2O — CID 115669489

IUPACN-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C11H15ClN2O/c1-11(2,3)7-10(15)14-9-6-4-5-8(12)13-9/h4-6H,7H2,1-3H3,(H,13,14,15)
InChIKeyAYUBMBLVRNQXJD-UHFFFAOYSA-N
MW226.71 g/mol
LogP3.11
Rot. Bonds2

About N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide

N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide (PubChem CID 115669489) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide
PubChem CID115669489
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C11H15ClN2O/c1-11(2,3)7-10(15)14-9-6-4-5-8(12)13-9/h4-6H,7H2,1-3H3,(H,13,14,15)
InChIKeyAYUBMBLVRNQXJD-UHFFFAOYSA-N
XLogP3.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 53.11
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-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
CID 104820780
N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
CID 102532470
(E)-3-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]prop-2-enoic acid
CID 109374977
N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 115683234
N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide
CID 102532473
N-(6-chloro-2-pyridinyl)-2-propoxyacetamide
CID 103739833
N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide
CID 104964213
2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide
CID 63588208
N-(6-chloro-2-pyridinyl)-2-naphthalen-1-ylacetamide
CID 115669454
4-(dimethylamino)-N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
CID 102532472
5-amino-N-(6-chloro-2-pyridinyl)hexanamide
CID 82853086
(2S)-2-amino-N-(6-chloro-2-pyridinyl)pentanamide
CID 107570362

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide (CID 115669489) is N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide?
The InChIKey is AYUBMBLVRNQXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-11(2,3)7-10(15)14-9-6-4-5-8(12)13-9/h4-6H,7H2,1-3H3,(H,13,14,15).
What are the key properties of N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide?
N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide has a molecular weight of 226.71 g/mol, XLogP of 3.11, 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)-3,3-dimethylbutanamide is sourced from PubChem (CID 115669489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).