N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide

C13H19ClN2O — CID 115364657

IUPACN-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)(C)CCl)c(C)n1
InChIInChI=1S/C13H19ClN2O/c1-9-5-6-11(10(2)16-9)12(17)15-8-13(3,4)7-14/h5-6H,7-8H2,1-4H3,(H,15,17)
InChIKeyBXEFZVDKCWBXAF-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.69
Rot. Bonds4

About N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide

N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 115364657) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID115364657
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)(C)CCl)c(C)n1
InChIInChI=1S/C13H19ClN2O/c1-9-5-6-11(10(2)16-9)12(17)15-8-13(3,4)7-14/h5-6H,7-8H2,1-4H3,(H,15,17)
InChIKeyBXEFZVDKCWBXAF-UHFFFAOYSA-N
XLogP2.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.69
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

N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide
CID 111480117
3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174598
N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114302798
N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 105059720
N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 65034246
4-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364523
N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114308850
2,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914586
5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 82890585
N-(2-aminopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 63731041
2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103726330
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62829026

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide (CID 115364657) is N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC(C)(C)CCl)c(C)n1.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is BXEFZVDKCWBXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9-5-6-11(10(2)16-9)12(17)15-8-13(3,4)7-14/h5-6H,7-8H2,1-4H3,(H,15,17).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide?
N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 254.76 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 115364657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).