N-(4-bromophenyl)-2-morpholin-4-ylpyridine-3-carboxamide

C16H16BrN3O2 — CID 2964248

IUPACN-(4-bromophenyl)-2-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccnc1N1CCOCC1
InChIInChI=1S/C16H16BrN3O2/c17-12-3-5-13(6-4-12)19-16(21)14-2-1-7-18-15(14)20-8-10-22-11-9-20/h1-7H,8-11H2,(H,19,21)
InChIKeyWSXCIECFBMTIQD-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.93
Rot. Bonds3

About N-(4-bromophenyl)-2-morpholin-4-ylpyridine-3-carboxamide

N-(4-bromophenyl)-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 2964248) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID2964248
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC NameN-(4-bromophenyl)-2-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccnc1N1CCOCC1
InChIInChI=1S/C16H16BrN3O2/c17-12-3-5-13(6-4-12)19-16(21)14-2-1-7-18-15(14)20-8-10-22-11-9-20/h1-7H,8-11H2,(H,19,21)
InChIKeyWSXCIECFBMTIQD-UHFFFAOYSA-N
XLogP2.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-morpholin-4-ylpyridine-3-carboxamide (CID 2964248) is N-(4-bromophenyl)-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-morpholin-4-ylpyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cccnc1N1CCOCC1.
What is the InChIKey of N-(4-bromophenyl)-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is WSXCIECFBMTIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c17-12-3-5-13(6-4-12)19-16(21)14-2-1-7-18-15(14)20-8-10-22-11-9-20/h1-7H,8-11H2,(H,19,21).
What are the key properties of N-(4-bromophenyl)-2-morpholin-4-ylpyridine-3-carboxamide?
N-(4-bromophenyl)-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 362.23 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 2964248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).