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

C12H17ClN2O — CID 114302798

IUPACN-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)CCl)c(C)n1
InChIInChI=1S/C12H17ClN2O/c1-8(6-13)7-14-12(16)11-5-4-9(2)15-10(11)3/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyMYAOIPZRWXBRIP-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.30
Rot. Bonds4

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

N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 114302798) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID114302798
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)CCl)c(C)n1
InChIInChI=1S/C12H17ClN2O/c1-8(6-13)7-14-12(16)11-5-4-9(2)15-10(11)3/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyMYAOIPZRWXBRIP-UHFFFAOYSA-N
XLogP2.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.30
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-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 65034246
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
N-(2-aminopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 63731041
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,6-dimethylpyridine-3-carboxamide
CID 47057757
2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid
CID 65217615
2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103726330
N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 115364657
3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 81067028
N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide
CID 111480117
N-(3-chloro-2-methylpropyl)-2-fluoro-4-methylbenzamide
CID 114302822
N-[(2R)-1-aminopropan-2-yl]-2,6-dimethylpyridine-3-carboxamide
CID 104873122

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide (CID 114302798) is N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC(C)CCl)c(C)n1.
What is the InChIKey of N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is MYAOIPZRWXBRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8(6-13)7-14-12(16)11-5-4-9(2)15-10(11)3/h4-5,8H,6-7H2,1-3H3,(H,14,16).
What are the key properties of N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide?
N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 240.73 g/mol, XLogP of 2.30, 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-methylpropyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 114302798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).