2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide

C13H17BrN4O2 — CID 79395352

IUPAC2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H17BrN4O2/c14-8-6-10(12(15)17-7-8)13(20)16-5-1-2-11(19)18-9-3-4-9/h6-7,9H,1-5H2,(H2,15,17)(H,16,20)(H,18,19)
InChIKeyXRQSQDGBBCRXNV-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.21
Rot. Bonds6

About 2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide

2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide (PubChem CID 79395352) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
PubChem CID79395352
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H17BrN4O2/c14-8-6-10(12(15)17-7-8)13(20)16-5-1-2-11(19)18-9-3-4-9/h6-7,9H,1-5H2,(H2,15,17)(H,16,20)(H,18,19)
InChIKeyXRQSQDGBBCRXNV-UHFFFAOYSA-N
XLogP1.21
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.21
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

2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 81245479
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
CID 79386137
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291
2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287868
2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide
CID 114540575
5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 107729793
2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
3-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]-2-fluorobenzamide
CID 106547636
3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide
CID 104742549
3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide
CID 103826611
N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000055

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide (CID 79395352) is 2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide is Nc1ncc(Br)cc1C(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of 2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide?
The InChIKey is XRQSQDGBBCRXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c14-8-6-10(12(15)17-7-8)13(20)16-5-1-2-11(19)18-9-3-4-9/h6-7,9H,1-5H2,(H2,15,17)(H,16,20)(H,18,19).
What are the key properties of 2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide?
2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide is sourced from PubChem (CID 79395352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).