5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide

C11H16BrN3O2 — CID 120654785

IUPAC5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C11H16BrN3O2/c1-3-13-7(2)5-14-10(16)8-4-9(12)11(17)15-6-8/h4,6-7,13H,3,5H2,1-2H3,(H,14,16)(H,15,17)/t7-/m1/s1
InChIKeyIRQULAMPHHECBX-SSDOTTSWSA-N
MW302.17 g/mol
LogP0.87
Rot. Bonds5

About 5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide

5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 120654785) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID120654785
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C11H16BrN3O2/c1-3-13-7(2)5-14-10(16)8-4-9(12)11(17)15-6-8/h4,6-7,13H,3,5H2,1-2H3,(H,14,16)(H,15,17)/t7-/m1/s1
InChIKeyIRQULAMPHHECBX-SSDOTTSWSA-N
XLogP0.87
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 103790965
5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride
CID 120653060
N-[(2R)-2-(ethylamino)propyl]-3,5-difluorobenzamide
CID 120653813
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
CID 120651714
3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654646
2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid
CID 119208771
2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654149
2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride
CID 120651990
N-[(2R)-2-(ethylamino)propyl]thiadiazole-5-carboxamide;hydrochloride
CID 120651512
2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 119187408
ethyl 3-(5-bromo-6-oxo-1H-pyridin-3-yl)-3-oxo-2-(propylamino)propanoate
CID 70374018
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 120653143

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide (CID 120654785) is 5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide is CCN[C@H](C)CNC(=O)c1c[nH]c(=O)c(Br)c1.
What is the InChIKey of 5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IRQULAMPHHECBX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-3-13-7(2)5-14-10(16)8-4-9(12)11(17)15-6-8/h4,6-7,13H,3,5H2,1-2H3,(H,14,16)(H,15,17)/t7-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide?
5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 302.17 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 120654785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).