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

C13H19BrN4O2 — CID 62169539

IUPACN-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NCCNC(C)=O
InChIInChI=1S/C13H19BrN4O2/c1-3-4-16-12-11(7-10(14)8-18-12)13(20)17-6-5-15-9(2)19/h7-8H,3-6H2,1-2H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyWOMPZLOGQNKUPL-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.53
Rot. Bonds7

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

N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62169539) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
PubChem CID62169539
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC NameN-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NCCNC(C)=O
InChIInChI=1S/C13H19BrN4O2/c1-3-4-16-12-11(7-10(14)8-18-12)13(20)17-6-5-15-9(2)19/h7-8H,3-6H2,1-2H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyWOMPZLOGQNKUPL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(4-methylpentyl)-2-(propylamino)pyridine-3-carboxamide
CID 63499563
5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62169185
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-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 65236933
5-bromo-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 63825090
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291
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-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62174433

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide (CID 62169539) is N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is WOMPZLOGQNKUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-3-4-16-12-11(7-10(14)8-18-12)13(20)17-6-5-15-9(2)19/h7-8H,3-6H2,1-2H3,(H,15,19)(H,16,18)(H,17,20).
What are the key properties of N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide?
N-(2-acetamidoethyl)-5-bromo-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 N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62169539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).