3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide

C16H17BrN2O2 — CID 122145092

IUPAC3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
SMILESCOc1ccccc1C(C)(C)NC(=O)c1ccncc1Br
InChIInChI=1S/C16H17BrN2O2/c1-16(2,12-6-4-5-7-14(12)21-3)19-15(20)11-8-9-18-10-13(11)17/h4-10H,1-3H3,(H,19,20)
InChIKeyRIRZWEPEZAWIEZ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.52
Rot. Bonds4

About 3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide

3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide (PubChem CID 122145092) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
PubChem CID122145092
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
SMILESCOc1ccccc1C(C)(C)NC(=O)c1ccncc1Br
InChIInChI=1S/C16H17BrN2O2/c1-16(2,12-6-4-5-7-14(12)21-3)19-15(20)11-8-9-18-10-13(11)17/h4-10H,1-3H3,(H,19,20)
InChIKeyRIRZWEPEZAWIEZ-UHFFFAOYSA-N
XLogP3.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 75373199
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3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
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N-[3-(bromomethyl)pentan-3-yl]-3-methoxypyridine-4-carboxamide
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3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide
CID 132933318
7-amino-N-[2-(2-methoxyphenyl)propan-2-yl]heptanamide;hydrochloride
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N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115645898
N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide
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3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 66462846
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 105063303
2-(4-methoxy-3-pyridinyl)-2-methylpropanoic acid
CID 115009175

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide (CID 122145092) is 3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide is COc1ccccc1C(C)(C)NC(=O)c1ccncc1Br.
What is the InChIKey of 3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide?
The InChIKey is RIRZWEPEZAWIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-16(2,12-6-4-5-7-14(12)21-3)19-15(20)11-8-9-18-10-13(11)17/h4-10H,1-3H3,(H,19,20).
What are the key properties of 3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide?
3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 122145092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).