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

C40H28Cl2F4N10O2 — CID 158138688

IUPAC6-(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
SMILESNC(=O)c1cnc(-n2cnc3cc(Cl)ccc32)cc1NCc1cc(F)cc(F)c1.NC(=O)c1cnc(-n2cnc3ccc(Cl)cc32)cc1NCc1cc(F)cc(F)c1
InChIInChI=1S/2C20H14ClF2N5O/c21-12-1-2-18-17(5-12)27-10-28(18)19-7-16(15(9-26-19)20(24)29)25-8-11-3-13(22)6-14(23)4-11;21-12-1-2-16-18(5-12)28(10-27-16)19-7-17(15(9-26-19)20(24)29)25-8-11-3-13(22)6-14(23)4-11/h2*1-7,9-10H,8H2,(H2,24,29)(H,25,26)
InChIKeyFTRBQIUUOCTHAG-UHFFFAOYSA-N
MW827.63 g/mol
LogP8.13
Rot. Bonds10

About 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

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 (PubChem CID 158138688) has the molecular formula C40H28Cl2F4N10O2 and a molecular weight of 827.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID158138688
Molecular FormulaC40H28Cl2F4N10O2
Molecular Weight827.63 g/mol
Exact Mass826.17
IUPAC Name6-(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
SMILESNC(=O)c1cnc(-n2cnc3cc(Cl)ccc32)cc1NCc1cc(F)cc(F)c1.NC(=O)c1cnc(-n2cnc3ccc(Cl)cc32)cc1NCc1cc(F)cc(F)c1
InChIInChI=1S/2C20H14ClF2N5O/c21-12-1-2-18-17(5-12)27-10-28(18)19-7-16(15(9-26-19)20(24)29)25-8-11-3-13(22)6-14(23)4-11;21-12-1-2-16-18(5-12)28(10-27-16)19-7-17(15(9-26-19)20(24)29)25-8-11-3-13(22)6-14(23)4-11/h2*1-7,9-10H,8H2,(H2,24,29)(H,25,26)
InChIKeyFTRBQIUUOCTHAG-UHFFFAOYSA-N
XLogP8.13
TPSA171.66 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.63
LogP ≤ 58.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NC(=O)c1cnc(-n2cnc3cc(Cl)ccc32)cc1NCc1cc(F)cc(F)c1.NC(=O)c1cnc(-n2cnc3ccc(Cl)cc32)cc1NCc1cc(F)cc(F)c1.
What is the InChIKey of 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?
The InChIKey is FTRBQIUUOCTHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H14ClF2N5O/c21-12-1-2-18-17(5-12)27-10-28(18)19-7-16(15(9-26-19)20(24)29)25-8-11-3-13(22)6-14(23)4-11;21-12-1-2-16-18(5-12)28(10-27-16)19-7-17(15(9-26-19)20(24)29)25-8-11-3-13(22)6-14(23)4-11/h2*1-7,9-10H,8H2,(H2,24,29)(H,25,26).
What are the key properties of 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?
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 has a molecular weight of 827.63 g/mol, XLogP of 8.13, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158138688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).