2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide

C16H17BrN2O2 — CID 78883963

IUPAC2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(C)C(=O)c1cccnc1Oc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-11(2)19(3)16(20)14-8-5-9-18-15(14)21-13-7-4-6-12(17)10-13/h4-11H,1-3H3
InChIKeyAQOOXRUZXBJEHH-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.12
Rot. Bonds4

About 2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide

2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 78883963) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID78883963
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(C)C(=O)c1cccnc1Oc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-11(2)19(3)16(20)14-8-5-9-18-15(14)21-13-7-4-6-12(17)10-13/h4-11H,1-3H3
InChIKeyAQOOXRUZXBJEHH-UHFFFAOYSA-N
XLogP4.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide
CID 46473407
2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide
CID 78875469
(3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide
CID 95044642
N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide
CID 55919722
2-(3-bromophenoxy)pyridin-3-amine
CID 16782330
1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine
CID 114057557
[2-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61258163
[2-(3-bromophenoxy)-3-pyridinyl]-(1,4-diazepan-1-yl)methanone
CID 119417840
3-(3-bromophenoxy)pyrazine-2-carboxamide
CID 62684983
2-(3-chlorophenoxy)-N-(4-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 12849372
N-methyl-2-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 62166706
2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78884843

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide (CID 78883963) is 2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide is CC(C)N(C)C(=O)c1cccnc1Oc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is AQOOXRUZXBJEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(2)19(3)16(20)14-8-5-9-18-15(14)21-13-7-4-6-12(17)10-13/h4-11H,1-3H3.
What are the key properties of 2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide?
2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 78883963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).