5-bromo-6-(4-cyclopropylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide

C18H19BrN2O3 — CID 170701026

IUPAC5-bromo-6-(4-cyclopropylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1cnc(Oc2ccc(C3CC3)cc2)c(Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-11(10-22)21-17(23)14-8-16(19)18(20-9-14)24-15-6-4-13(5-7-15)12-2-3-12/h4-9,11-12,22H,2-3,10H2,1H3,(H,21,23)/t11-/m1/s1
InChIKeySNTJRSGDRDGBJZ-LLVKDONJSA-N
MW391.27 g/mol
LogP3.62
Rot. Bonds6

About 5-bromo-6-(4-cyclopropylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide

5-bromo-6-(4-cyclopropylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide (PubChem CID 170701026) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 5-bromo-6-(4-cyclopropylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-(4-cyclopropylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
PubChem CID170701026
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name5-bromo-6-(4-cyclopropylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1cnc(Oc2ccc(C3CC3)cc2)c(Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-11(10-22)21-17(23)14-8-16(19)18(20-9-14)24-15-6-4-13(5-7-15)12-2-3-12/h4-9,11-12,22H,2-3,10H2,1H3,(H,21,23)/t11-/m1/s1
InChIKeySNTJRSGDRDGBJZ-LLVKDONJSA-N
XLogP3.62
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4-cyclopropylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-6-(4-cyclopropylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide (CID 170701026) is 5-bromo-6-(4-cyclopropylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-6-(4-cyclopropylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-6-(4-cyclopropylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide is C[C@H](CO)NC(=O)c1cnc(Oc2ccc(C3CC3)cc2)c(Br)c1.
What is the InChIKey of 5-bromo-6-(4-cyclopropylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide?
The InChIKey is SNTJRSGDRDGBJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-11(10-22)21-17(23)14-8-16(19)18(20-9-14)24-15-6-4-13(5-7-15)12-2-3-12/h4-9,11-12,22H,2-3,10H2,1H3,(H,21,23)/t11-/m1/s1.
What are the key properties of 5-bromo-6-(4-cyclopropylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide?
5-bromo-6-(4-cyclopropylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-cyclopropylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 170701026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).