2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide

C22H16F2N6O — CID 131731006

IUPAC2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide
SMILESN#Cc1ccc2c(c1)ncn2-c1cc(NCc2cc(F)cc(F)c2)c(CC(N)=O)cn1
InChIInChI=1S/C22H16F2N6O/c23-16-3-14(4-17(24)7-16)10-27-18-8-22(28-11-15(18)6-21(26)31)30-12-29-19-5-13(9-25)1-2-20(19)30/h1-5,7-8,11-12H,6,10H2,(H2,26,31)(H,27,28)
InChIKeyVQDVSQDFPLNAIV-UHFFFAOYSA-N
MW418.41 g/mol
LogP3.21
Rot. Bonds6

About 2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide

2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide (PubChem CID 131731006) has the molecular formula C22H16F2N6O and a molecular weight of 418.41 g/mol. Its IUPAC name is 2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide
PubChem CID131731006
Molecular FormulaC22H16F2N6O
Molecular Weight418.41 g/mol
Exact Mass418.14
IUPAC Name2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide
SMILESN#Cc1ccc2c(c1)ncn2-c1cc(NCc2cc(F)cc(F)c2)c(CC(N)=O)cn1
InChIInChI=1S/C22H16F2N6O/c23-16-3-14(4-17(24)7-16)10-27-18-8-22(28-11-15(18)6-21(26)31)30-12-29-19-5-13(9-25)1-2-20(19)30/h1-5,7-8,11-12H,6,10H2,(H2,26,31)(H,27,28)
InChIKeyVQDVSQDFPLNAIV-UHFFFAOYSA-N
XLogP3.21
TPSA109.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(benzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide
CID 131731002
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
4-[(3,5-difluorophenyl)methylamino]-6-(6-morpholin-4-ylbenzimidazol-1-yl)pyridine-3-carboxamide
CID 58450654
1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile
CID 171652040
methyl 2-(5-cyanobenzimidazol-1-yl)acetate
CID 10798711
3-amino-4-[(4-fluorophenyl)methylamino]benzonitrile
CID 43518027
3-bromo-4-[(3-bromo-5-fluorophenyl)methylamino]benzonitrile
CID 107789811
2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide
CID 103851337
1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile
CID 24768643
1-prop-2-ynylbenzimidazole-5-carbonitrile
CID 134298627
3-amino-4-[2-(3,5-difluorophenyl)ethylamino]benzonitrile
CID 62605345
3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide
CID 43701025

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide?
The IUPAC name of 2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide (CID 131731006) is 2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide?
The canonical SMILES for 2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide is N#Cc1ccc2c(c1)ncn2-c1cc(NCc2cc(F)cc(F)c2)c(CC(N)=O)cn1.
What is the InChIKey of 2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide?
The InChIKey is VQDVSQDFPLNAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O/c23-16-3-14(4-17(24)7-16)10-27-18-8-22(28-11-15(18)6-21(26)31)30-12-29-19-5-13(9-25)1-2-20(19)30/h1-5,7-8,11-12H,6,10H2,(H2,26,31)(H,27,28).
What are the key properties of 2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide?
2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide has a molecular weight of 418.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-cyanobenzimidazol-1-yl)-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide is sourced from PubChem (CID 131731006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).