5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide

C13H19BrN4O2 — CID 62169185

IUPAC5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NCC(=O)NCC
InChIInChI=1S/C13H19BrN4O2/c1-3-5-16-12-10(6-9(14)7-17-12)13(20)18-8-11(19)15-4-2/h6-7H,3-5,8H2,1-2H3,(H,15,19)(H,16,17)(H,18,20)
InChIKeyRCJQUSQRNSIFKR-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.53
Rot. Bonds7

About 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide

5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62169185) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide
PubChem CID62169185
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC Name5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NCC(=O)NCC
InChIInChI=1S/C13H19BrN4O2/c1-3-5-16-12-10(6-9(14)7-17-12)13(20)18-8-11(19)15-4-2/h6-7H,3-5,8H2,1-2H3,(H,15,19)(H,16,17)(H,18,20)
InChIKeyRCJQUSQRNSIFKR-UHFFFAOYSA-N
XLogP1.53
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539
5-bromo-N-(4-methylpentyl)-2-(propylamino)pyridine-3-carboxamide
CID 63499563
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide
CID 65042966
5-bromo-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 63825090
5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165422
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263
5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide
CID 62178513
5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
CID 63501657
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 65236933
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62174433
5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 63499508

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide (CID 62169185) is 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(=O)NCC(=O)NCC.
What is the InChIKey of 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is RCJQUSQRNSIFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-3-5-16-12-10(6-9(14)7-17-12)13(20)18-8-11(19)15-4-2/h6-7H,3-5,8H2,1-2H3,(H,15,19)(H,16,17)(H,18,20).
What are the key properties of 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide?
5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 343.23 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62169185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).