5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide

C12H18BrN3O2 — CID 55047194

IUPAC5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NCC(C)COC
InChIInChI=1S/C12H18BrN3O2/c1-8(7-18-3)5-16-12(17)10-4-9(13)6-15-11(10)14-2/h4,6,8H,5,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyABOIHGRTPSMMFW-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.90
Rot. Bonds6

About 5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide

5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 55047194) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID55047194
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NCC(C)COC
InChIInChI=1S/C12H18BrN3O2/c1-8(7-18-3)5-16-12(17)10-4-9(13)6-15-11(10)14-2/h4,6,8H,5,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyABOIHGRTPSMMFW-UHFFFAOYSA-N
XLogP1.90
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-3-carboxamide
CID 65053033
5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113466911
3-amino-5-bromo-N-(3-methoxy-2-methylpropyl)-2-methylbenzamide
CID 107872634
5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62185046
5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide
CID 107818051
5-bromo-2-hydrazinyl-N-(2-methoxypropyl)pyridine-3-carboxamide
CID 102700643
2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 103882658
5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047105
5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 62236680
5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 55046150
5-bromo-2-hydrazinyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 62242203
5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62166425

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide (CID 55047194) is 5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)NCC(C)COC.
What is the InChIKey of 5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is ABOIHGRTPSMMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-8(7-18-3)5-16-12(17)10-4-9(13)6-15-11(10)14-2/h4,6,8H,5,7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide?
5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 316.20 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 55047194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).