2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide

C24H26N4O4S — CID 19815917

IUPAC2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCc1nc(-c2cccs2)cc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C24H26N4O4S/c1-17-23(24(29)25-9-3-10-27-11-13-32-14-12-27)20(16-21(26-17)22-4-2-15-33-22)18-5-7-19(8-6-18)28(30)31/h2,4-8,15-16H,3,9-14H2,1H3,(H,25,29)
InChIKeyMCVZOUJGZKMIEU-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.15
Rot. Bonds8

About 2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide

2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 19815917) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide
PubChem CID19815917
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCc1nc(-c2cccs2)cc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C24H26N4O4S/c1-17-23(24(29)25-9-3-10-27-11-13-32-14-12-27)20(16-21(26-17)22-4-2-15-33-22)18-5-7-19(8-6-18)28(30)31/h2,4-8,15-16H,3,9-14H2,1H3,(H,25,29)
InChIKeyMCVZOUJGZKMIEU-UHFFFAOYSA-N
XLogP4.15
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide (CID 19815917) is 2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide is Cc1nc(-c2cccs2)cc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is MCVZOUJGZKMIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-17-23(24(29)25-9-3-10-27-11-13-32-14-12-27)20(16-21(26-17)22-4-2-15-33-22)18-5-7-19(8-6-18)28(30)31/h2,4-8,15-16H,3,9-14H2,1H3,(H,25,29).
What are the key properties of 2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide?
2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 19815917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).