5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide

C12H16BrN3O2 — CID 113407759

IUPAC5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide
SMILESCC(C)NC(=O)C(C)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C12H16BrN3O2/c1-7(2)15-11(17)8(3)16-12(18)9-4-10(13)6-14-5-9/h4-8H,1-3H3,(H,15,17)(H,16,18)
InChIKeyWKRXCWOWVHPTAO-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.49
Rot. Bonds4

About 5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide

5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide (PubChem CID 113407759) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide
PubChem CID113407759
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide
SMILESCC(C)NC(=O)C(C)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C12H16BrN3O2/c1-7(2)15-11(17)8(3)16-12(18)9-4-10(13)6-14-5-9/h4-8H,1-3H3,(H,15,17)(H,16,18)
InChIKeyWKRXCWOWVHPTAO-UHFFFAOYSA-N
XLogP1.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 47468363
5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 131048375
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 28979295
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide
CID 47165798
N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191624
(2R,3S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 28979309
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353006
diethyl 2-[(5-bromopyridine-3-carbonyl)amino]propanedioate
CID 33240132

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide (CID 113407759) is 5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide is CC(C)NC(=O)C(C)NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide?
The InChIKey is WKRXCWOWVHPTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-7(2)15-11(17)8(3)16-12(18)9-4-10(13)6-14-5-9/h4-8H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide?
5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 113407759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).