6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide

C18H19BrN2O3 — CID 100623073

IUPAC6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)[C@@H]1CCOC1
InChIInChI=1S/C18H19BrN2O3/c1-12(14-8-9-23-11-14)21-18(22)13-2-7-17(20-10-13)24-16-5-3-15(19)4-6-16/h2-7,10,12,14H,8-9,11H2,1H3,(H,21,22)/t12-,14-/m1/s1
InChIKeySNZMRCJRZFZEML-TZMCWYRMSA-N
MW391.27 g/mol
LogP3.79
Rot. Bonds5

About 6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide

6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide (PubChem CID 100623073) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide
PubChem CID100623073
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)[C@@H]1CCOC1
InChIInChI=1S/C18H19BrN2O3/c1-12(14-8-9-23-11-14)21-18(22)13-2-7-17(20-10-13)24-16-5-3-15(19)4-6-16/h2-7,10,12,14H,8-9,11H2,1H3,(H,21,22)/t12-,14-/m1/s1
InChIKeySNZMRCJRZFZEML-TZMCWYRMSA-N
XLogP3.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

4-[1-(oxolan-3-yl)ethylcarbamoyl]benzoic acid
CID 113263166
6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide
CID 103769200
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305
N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 119474511
2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241573
6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 55786845
4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 113263165
2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547837
3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113366833
3-[[(1R)-1-[(3R)-oxolan-3-yl]ethyl]carbamoyl]benzoic acid
CID 124595766
N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119625868
4-amino-3-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 115649252

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide (CID 100623073) is 6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide is C[C@@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)[C@@H]1CCOC1.
What is the InChIKey of 6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is SNZMRCJRZFZEML-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-12(14-8-9-23-11-14)21-18(22)13-2-7-17(20-10-13)24-16-5-3-15(19)4-6-16/h2-7,10,12,14H,8-9,11H2,1H3,(H,21,22)/t12-,14-/m1/s1.
What are the key properties of 6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide?
6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 100623073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).