5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide

C16H15BrN4O4 — CID 17127152

IUPAC5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cncc(Br)c1
InChIInChI=1S/C16H15BrN4O4/c17-12-7-11(9-18-10-12)16(22)19-13-1-2-14(15(8-13)21(23)24)20-3-5-25-6-4-20/h1-2,7-10H,3-6H2,(H,19,22)
InChIKeyRMBULLGECRHODW-UHFFFAOYSA-N
MW407.22 g/mol
LogP2.84
Rot. Bonds4

About 5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide

5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide (PubChem CID 17127152) has the molecular formula C16H15BrN4O4 and a molecular weight of 407.22 g/mol. Its IUPAC name is 5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide
PubChem CID17127152
Molecular FormulaC16H15BrN4O4
Molecular Weight407.22 g/mol
Exact Mass406.03
IUPAC Name5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cncc(Br)c1
InChIInChI=1S/C16H15BrN4O4/c17-12-7-11(9-18-10-12)16(22)19-13-1-2-14(15(8-13)21(23)24)20-3-5-25-6-4-20/h1-2,7-10H,3-6H2,(H,19,22)
InChIKeyRMBULLGECRHODW-UHFFFAOYSA-N
XLogP2.84
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.22
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 1227119
N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide
CID 17127125
N-(4-morpholin-4-yl-3-nitrophenyl)-4-propan-2-ylbenzamide
CID 17127057
4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127079
3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127084
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-yl-3-nitrobenzamide
CID 3491966
3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127080
2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127061
N-(3-chloro-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2903047
4-[(2S)-butan-2-yl]oxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 40864770
4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide
CID 4810767
N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17318863

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide (CID 17127152) is 5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is RMBULLGECRHODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O4/c17-12-7-11(9-18-10-12)16(22)19-13-1-2-14(15(8-13)21(23)24)20-3-5-25-6-4-20/h1-2,7-10H,3-6H2,(H,19,22).
What are the key properties of 5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide?
5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 407.22 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 17127152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).