5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide

C11H14BrN3O2 — CID 8750450

IUPAC5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C11H14BrN3O2/c1-3-14-10(16)7(2)15-11(17)8-4-9(12)6-13-5-8/h4-7H,3H2,1-2H3,(H,14,16)(H,15,17)/t7-/m1/s1
InChIKeyDRIPSFYYYHHPLJ-SSDOTTSWSA-N
MW300.16 g/mol
LogP1.10
Rot. Bonds4

About 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide

5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide (PubChem CID 8750450) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
PubChem CID8750450
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C11H14BrN3O2/c1-3-14-10(16)7(2)15-11(17)8-4-9(12)6-13-5-8/h4-7H,3H2,1-2H3,(H,14,16)(H,15,17)/t7-/m1/s1
InChIKeyDRIPSFYYYHHPLJ-SSDOTTSWSA-N
XLogP1.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide
CID 113407759
3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 103907452
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 51464444
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-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 131048375
6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 115283084
5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 55046150
N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191624
2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 43630361
5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 47468363

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide (CID 8750450) is 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide is CCNC(=O)[C@@H](C)NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The InChIKey is DRIPSFYYYHHPLJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-3-14-10(16)7(2)15-11(17)8-4-9(12)6-13-5-8/h4-7H,3H2,1-2H3,(H,14,16)(H,15,17)/t7-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide has a molecular weight of 300.16 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 8750450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).