methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate

C12H15BrN2O3 — CID 107518636

IUPACmethyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1ncccc1Br
InChIInChI=1S/C12H15BrN2O3/c1-8(12(17)18-3)7-15(2)11(16)10-9(13)5-4-6-14-10/h4-6,8H,7H2,1-3H3
InChIKeyKIFCUFUXTMQOSX-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.73
Rot. Bonds4

About methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate

methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate (PubChem CID 107518636) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate
PubChem CID107518636
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Namemethyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1ncccc1Br
InChIInChI=1S/C12H15BrN2O3/c1-8(12(17)18-3)7-15(2)11(16)10-9(13)5-4-6-14-10/h4-6,8H,7H2,1-3H3
InChIKeyKIFCUFUXTMQOSX-UHFFFAOYSA-N
XLogP1.73
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 61051558
methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate
CID 47981172
3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
CID 107518946
3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 107518180
methyl 3-[(6-bromopyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 66463709
3-bromo-N-ethoxypyridine-2-carboxamide
CID 107519636
3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 107517936
methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008393
3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide
CID 107519243
methyl 3-[(3-bromo-4-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 103707468
3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 107518506
3-[(3-bromopyridine-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 107517011

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate (CID 107518636) is methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)c1ncccc1Br.
What is the InChIKey of methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate?
The InChIKey is KIFCUFUXTMQOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-8(12(17)18-3)7-15(2)11(16)10-9(13)5-4-6-14-10/h4-6,8H,7H2,1-3H3.
What are the key properties of methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate?
methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate has a molecular weight of 315.17 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 107518636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).