5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide

C13H20BrN3O2 — CID 62186287

IUPAC5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NC(C)COC
InChIInChI=1S/C13H20BrN3O2/c1-4-5-15-12-11(6-10(14)7-16-12)13(18)17-9(2)8-19-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyDTDOZQQZPXFQIT-UHFFFAOYSA-N
MW330.23 g/mol
LogP2.43
Rot. Bonds7

About 5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide

5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62186287) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide
PubChem CID62186287
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NC(C)COC
InChIInChI=1S/C13H20BrN3O2/c1-4-5-15-12-11(6-10(14)7-16-12)13(18)17-9(2)8-19-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyDTDOZQQZPXFQIT-UHFFFAOYSA-N
XLogP2.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 65053644
5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 63499508
5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 62236680
5-bromo-N-(4-methylpentyl)-2-(propylamino)pyridine-3-carboxamide
CID 63499563
5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165422
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide
CID 65042966
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539
5-bromo-N-[1-(dimethylamino)propan-2-yl]-2-(ethylamino)pyridine-3-carboxamide
CID 82949791
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-3-carboxamide
CID 65053033
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263
5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62169185

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide (CID 62186287) is 5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(=O)NC(C)COC.
What is the InChIKey of 5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is DTDOZQQZPXFQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-4-5-15-12-11(6-10(14)7-16-12)13(18)17-9(2)8-19-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide?
5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 330.23 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62186287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).