5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride

C11H18BrCl2N3O — CID 120653060

IUPAC5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cncc(Br)c1.Cl.Cl
InChIInChI=1S/C11H16BrN3O.2ClH/c1-3-14-8(2)5-15-11(16)9-4-10(12)7-13-6-9;;/h4,6-8,14H,3,5H2,1-2H3,(H,15,16);2*1H/t8-;;/m1../s1
InChIKeyQLVALHOTRSQNMT-YCBDHFTFSA-N
MW359.10 g/mol
LogP2.42
Rot. Bonds5

About 5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride

5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 120653060) has the molecular formula C11H18BrCl2N3O and a molecular weight of 359.10 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID120653060
Molecular FormulaC11H18BrCl2N3O
Molecular Weight359.10 g/mol
Exact Mass357.00
IUPAC Name5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cncc(Br)c1.Cl.Cl
InChIInChI=1S/C11H16BrN3O.2ClH/c1-3-14-8(2)5-15-11(16)9-4-10(12)7-13-6-9;;/h4,6-8,14H,3,5H2,1-2H3,(H,15,16);2*1H/t8-;;/m1../s1
InChIKeyQLVALHOTRSQNMT-YCBDHFTFSA-N
XLogP2.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.10
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride 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-bromo-2-methylpropyl)pyridine-3-carboxamide
CID 114313414
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide
CID 76952947
3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654646
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
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073
4-[(5-bromopyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538521
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 61150398
N-[(2R)-2-(ethylamino)propyl]-3,5-difluorobenzamide
CID 120653813
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313
5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
CID 66180153

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride (CID 120653060) is 5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride is CCN[C@H](C)CNC(=O)c1cncc(Br)c1.Cl.Cl.
What is the InChIKey of 5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is QLVALHOTRSQNMT-YCBDHFTFSA-N. The full InChI is InChI=1S/C11H16BrN3O.2ClH/c1-3-14-8(2)5-15-11(16)9-4-10(12)7-13-6-9;;/h4,6-8,14H,3,5H2,1-2H3,(H,15,16);2*1H/t8-;;/m1../s1.
What are the key properties of 5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride?
5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 359.10 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120653060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).