5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide

C14H14Br2N4O — CID 62165422

IUPAC5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C14H14Br2N4O/c1-2-5-17-13-11(6-10(16)8-19-13)14(21)20-12-4-3-9(15)7-18-12/h3-4,6-8H,2,5H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyLUWSXPLTRLYQPP-UHFFFAOYSA-N
MW414.10 g/mol
LogP4.08
Rot. Bonds5

About 5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide

5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62165422) has the molecular formula C14H14Br2N4O and a molecular weight of 414.10 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
PubChem CID62165422
Molecular FormulaC14H14Br2N4O
Molecular Weight414.10 g/mol
Exact Mass411.95
IUPAC Name5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C14H14Br2N4O/c1-2-5-17-13-11(6-10(16)8-19-13)14(21)20-12-4-3-9(15)7-18-12/h3-4,6-8H,2,5H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyLUWSXPLTRLYQPP-UHFFFAOYSA-N
XLogP4.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62172279
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539
5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide
CID 65042966
5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 63499508
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
5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
CID 63501657
5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62186287
5-bromo-N-(4-methylpentyl)-2-(propylamino)pyridine-3-carboxamide
CID 63499563
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 65053644
5-bromo-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 63825090

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide (CID 62165422) is 5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is LUWSXPLTRLYQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N4O/c1-2-5-17-13-11(6-10(16)8-19-13)14(21)20-12-4-3-9(15)7-18-12/h3-4,6-8H,2,5H2,1H3,(H,17,19)(H,18,20,21).
What are the key properties of 5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide?
5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 414.10 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62165422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).