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

C12H16BrN3O2 — CID 47165798

IUPAC5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C12H16BrN3O2/c1-8(2)16-11(17)3-4-15-12(18)9-5-10(13)7-14-6-9/h5-8H,3-4H2,1-2H3,(H,15,18)(H,16,17)
InChIKeySFAHLPGTVCHECD-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.49
Rot. Bonds5

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

5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide (PubChem CID 47165798) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide
PubChem CID47165798
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C12H16BrN3O2/c1-8(2)16-11(17)3-4-15-12(18)9-5-10(13)7-14-6-9/h5-8H,3-4H2,1-2H3,(H,15,18)(H,16,17)
InChIKeySFAHLPGTVCHECD-UHFFFAOYSA-N
XLogP1.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 61150398
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
4-[(5-bromopyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538521
5-[(5-bromopyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682071
5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide
CID 113407759
5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 43600789
5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide
CID 114313414
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 112688688
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride
CID 119408157
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-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide (CID 47165798) is 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide is CC(C)NC(=O)CCNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide?
The InChIKey is SFAHLPGTVCHECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-8(2)16-11(17)3-4-15-12(18)9-5-10(13)7-14-6-9/h5-8H,3-4H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide?
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 47165798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).