[6-(bromomethyl)-2-pyridinyl]-(2-cyclohexyl-3,3-dimethylbutyl)carbamic acid

C19H29BrN2O2 — CID 67189605

IUPAC[6-(bromomethyl)-2-pyridinyl]-(2-cyclohexyl-3,3-dimethylbutyl)carbamic acid
SMILESCC(C)(C)C(CN(C(=O)O)c1cccc(CBr)n1)C1CCCCC1
InChIInChI=1S/C19H29BrN2O2/c1-19(2,3)16(14-8-5-4-6-9-14)13-22(18(23)24)17-11-7-10-15(12-20)21-17/h7,10-11,14,16H,4-6,8-9,12-13H2,1-3H3,(H,23,24)
InChIKeyWAZYMSHMOYDPEB-UHFFFAOYSA-N
MW397.36 g/mol
LogP5.70
Rot. Bonds5

About [6-(bromomethyl)-2-pyridinyl]-(2-cyclohexyl-3,3-dimethylbutyl)carbamic acid

[6-(bromomethyl)-2-pyridinyl]-(2-cyclohexyl-3,3-dimethylbutyl)carbamic acid (PubChem CID 67189605) has the molecular formula C19H29BrN2O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is [6-(bromomethyl)-2-pyridinyl]-(2-cyclohexyl-3,3-dimethylbutyl)carbamic acid.

Molecular Properties

Compound Name[6-(bromomethyl)-2-pyridinyl]-(2-cyclohexyl-3,3-dimethylbutyl)carbamic acid
PubChem CID67189605
Molecular FormulaC19H29BrN2O2
Molecular Weight397.36 g/mol
Exact Mass396.14
IUPAC Name[6-(bromomethyl)-2-pyridinyl]-(2-cyclohexyl-3,3-dimethylbutyl)carbamic acid
SMILESCC(C)(C)C(CN(C(=O)O)c1cccc(CBr)n1)C1CCCCC1
InChIInChI=1S/C19H29BrN2O2/c1-19(2,3)16(14-8-5-4-6-9-14)13-22(18(23)24)17-11-7-10-15(12-20)21-17/h7,10-11,14,16H,4-6,8-9,12-13H2,1-3H3,(H,23,24)
InChIKeyWAZYMSHMOYDPEB-UHFFFAOYSA-N
XLogP5.70
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.36
LogP ≤ 55.70
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

(6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid
CID 87063962
6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904668
6-(bromomethyl)pyridine-2-carboxamide
CID 91240807
tert-butyl N-(2-cyclohexylethyl)-N-[6-[[(Z)-[(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 140660332
6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid
CID 106903990
(1-chloro-3,3-dimethylbutan-2-yl)cycloheptane
CID 83142657
3-cyclohexyl-2-methyl-4-phenylsulfanyl-2-phosphorosobutanoic acid
CID 174293187
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
tert-butyl N-[(2S)-3-cyclohexyl-2-(dibenzylamino)propyl]-N-methylcarbamate
CID 141276838
1-[4-[(1S)-2-[2-[benzyl(methyl)amino]pyrimidin-4-yl]-1-cyclohexylethyl]triazol-1-yl]cyclopropane-1-carboxamide
CID 158934881
2-(cyclohexylmethyl)-3,3-dimethyl-1-pyridin-2-ylbutan-1-one
CID 57105368
N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide
CID 171593679

Frequently Asked Questions

What is the IUPAC name of [6-(bromomethyl)-2-pyridinyl]-(2-cyclohexyl-3,3-dimethylbutyl)carbamic acid?
The IUPAC name of [6-(bromomethyl)-2-pyridinyl]-(2-cyclohexyl-3,3-dimethylbutyl)carbamic acid (CID 67189605) is [6-(bromomethyl)-2-pyridinyl]-(2-cyclohexyl-3,3-dimethylbutyl)carbamic acid.
What is the SMILES notation for [6-(bromomethyl)-2-pyridinyl]-(2-cyclohexyl-3,3-dimethylbutyl)carbamic acid?
The canonical SMILES for [6-(bromomethyl)-2-pyridinyl]-(2-cyclohexyl-3,3-dimethylbutyl)carbamic acid is CC(C)(C)C(CN(C(=O)O)c1cccc(CBr)n1)C1CCCCC1.
What is the InChIKey of [6-(bromomethyl)-2-pyridinyl]-(2-cyclohexyl-3,3-dimethylbutyl)carbamic acid?
The InChIKey is WAZYMSHMOYDPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN2O2/c1-19(2,3)16(14-8-5-4-6-9-14)13-22(18(23)24)17-11-7-10-15(12-20)21-17/h7,10-11,14,16H,4-6,8-9,12-13H2,1-3H3,(H,23,24).
What are the key properties of [6-(bromomethyl)-2-pyridinyl]-(2-cyclohexyl-3,3-dimethylbutyl)carbamic acid?
[6-(bromomethyl)-2-pyridinyl]-(2-cyclohexyl-3,3-dimethylbutyl)carbamic acid has a molecular weight of 397.36 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(bromomethyl)-2-pyridinyl]-(2-cyclohexyl-3,3-dimethylbutyl)carbamic acid is sourced from PubChem (CID 67189605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).