[3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid

C14H22BrN3O2 — CID 155099118

IUPAC[3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid
SMILESCC(CNc1ccc(Br)cn1)CN(C(=O)O)C(C)(C)C
InChIInChI=1S/C14H22BrN3O2/c1-10(9-18(13(19)20)14(2,3)4)7-16-12-6-5-11(15)8-17-12/h5-6,8,10H,7,9H2,1-4H3,(H,16,17)(H,19,20)
InChIKeyVVVCWFQKEZTYRD-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.67
Rot. Bonds5

About [3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid

[3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid (PubChem CID 155099118) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is [3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid
PubChem CID155099118
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name[3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid
SMILESCC(CNc1ccc(Br)cn1)CN(C(=O)O)C(C)(C)C
InChIInChI=1S/C14H22BrN3O2/c1-10(9-18(13(19)20)14(2,3)4)7-16-12-6-5-11(15)8-17-12/h5-6,8,10H,7,9H2,1-4H3,(H,16,17)(H,19,20)
InChIKeyVVVCWFQKEZTYRD-UHFFFAOYSA-N
XLogP3.67
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid
CID 155099140
N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 115303018
5-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64597766
6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 65034852
N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287887
2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid
CID 121472169
5-bromo-N-(2-ethoxypropyl)pyridin-2-amine
CID 115658186
tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate
CID 54591947
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
[(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-[2-(trifluoromethyl)phenyl]propyl]-tert-butylcarbamic acid
CID 68600908
4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498673
3-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66138511

Frequently Asked Questions

What is the IUPAC name of [3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid?
The IUPAC name of [3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid (CID 155099118) is [3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid.
What is the SMILES notation for [3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid?
The canonical SMILES for [3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid is CC(CNc1ccc(Br)cn1)CN(C(=O)O)C(C)(C)C.
What is the InChIKey of [3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid?
The InChIKey is VVVCWFQKEZTYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-10(9-18(13(19)20)14(2,3)4)7-16-12-6-5-11(15)8-17-12/h5-6,8,10H,7,9H2,1-4H3,(H,16,17)(H,19,20).
What are the key properties of [3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid?
[3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid has a molecular weight of 344.25 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid is sourced from PubChem (CID 155099118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).