5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide

C13H18BrN3O2 — CID 61150398

IUPAC5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H18BrN3O2/c1-3-9(2)17-12(18)4-5-16-13(19)10-6-11(14)8-15-7-10/h6-9H,3-5H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyMQNCXOIFCOWNGD-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.88
Rot. Bonds6

About 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide

5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide (PubChem CID 61150398) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide
PubChem CID61150398
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H18BrN3O2/c1-3-9(2)17-12(18)4-5-16-13(19)10-6-11(14)8-15-7-10/h6-9H,3-5H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyMQNCXOIFCOWNGD-UHFFFAOYSA-N
XLogP1.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]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-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide
CID 47165798
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide
CID 109101912
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62242574
4-[(5-bromopyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538521
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816424
N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816425
5-[(5-bromopyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682071
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 43600789
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide (CID 61150398) is 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide is CCC(C)NC(=O)CCNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide?
The InChIKey is MQNCXOIFCOWNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-3-9(2)17-12(18)4-5-16-13(19)10-6-11(14)8-15-7-10/h6-9H,3-5H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide?
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide has a molecular weight of 328.21 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 61150398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).