4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide

C24H22F2N6O2 — CID 58450654

IUPAC4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(-n2cnc3ccc(N4CCOCC4)cc32)cc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C24H22F2N6O2/c25-16-7-15(8-17(26)9-16)12-28-21-11-23(29-13-19(21)24(27)33)32-14-30-20-2-1-18(10-22(20)32)31-3-5-34-6-4-31/h1-2,7-11,13-14H,3-6,12H2,(H2,27,33)(H,28,29)
InChIKeyRDYWKTYWULFLLU-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.25
Rot. Bonds6

About 4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide

4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide (PubChem CID 58450654) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide
PubChem CID58450654
Molecular FormulaC24H22F2N6O2
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(-n2cnc3ccc(N4CCOCC4)cc32)cc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C24H22F2N6O2/c25-16-7-15(8-17(26)9-16)12-28-21-11-23(29-13-19(21)24(27)33)32-14-30-20-2-1-18(10-22(20)32)31-3-5-34-6-4-31/h1-2,7-11,13-14H,3-6,12H2,(H2,27,33)(H,28,29)
InChIKeyRDYWKTYWULFLLU-UHFFFAOYSA-N
XLogP3.25
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-(5-chlorobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide;6-(6-chlorobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 158138688
6-(2-chloro-4-morpholin-4-ylanilino)-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 58450660
4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450651
2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide
CID 131731002
4-[[(3,5-difluorophenyl)methylamino]methoxy]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 67423489
4-[(3-fluorophenyl)methylamino]-6-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56969795
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740
4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 58450483
4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 67423490
6-[4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67422918
2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide
CID 131731006
4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218981

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of 4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide (CID 58450654) is 4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide is NC(=O)c1cnc(-n2cnc3ccc(N4CCOCC4)cc32)cc1NCc1cc(F)cc(F)c1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide?
The InChIKey is RDYWKTYWULFLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c25-16-7-15(8-17(26)9-16)12-28-21-11-23(29-13-19(21)24(27)33)32-14-30-20-2-1-18(10-22(20)32)31-3-5-34-6-4-31/h1-2,7-11,13-14H,3-6,12H2,(H2,27,33)(H,28,29).
What are the key properties of 4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide?
4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 58450654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).