3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine

C21H19F2N7 — CID 24762465

IUPAC3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine
SMILESCN(C)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1
InChIInChI=1S/C21H19F2N7/c1-29(2)12-13-6-8-14(9-7-13)15-10-16(20(24)25-11-15)21-26-27-28-30(21)18-5-3-4-17(22)19(18)23/h3-11H,12H2,1-2H3,(H2,24,25)
InChIKeyOJDNOTUDBQSXSR-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.31
Rot. Bonds5

About 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine

3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine (PubChem CID 24762465) has the molecular formula C21H19F2N7 and a molecular weight of 407.43 g/mol. Its IUPAC name is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine
PubChem CID24762465
Molecular FormulaC21H19F2N7
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine
SMILESCN(C)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1
InChIInChI=1S/C21H19F2N7/c1-29(2)12-13-6-8-14(9-7-13)15-10-16(20(24)25-11-15)21-26-27-28-30(21)18-5-3-4-17(22)19(18)23/h3-11H,12H2,1-2H3,(H2,24,25)
InChIKeyOJDNOTUDBQSXSR-UHFFFAOYSA-N
XLogP3.31
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine?
The IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine (CID 24762465) is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine?
The canonical SMILES for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine is CN(C)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1.
What is the InChIKey of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine?
The InChIKey is OJDNOTUDBQSXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7/c1-29(2)12-13-6-8-14(9-7-13)15-10-16(20(24)25-11-15)21-26-27-28-30(21)18-5-3-4-17(22)19(18)23/h3-11H,12H2,1-2H3,(H2,24,25).
What are the key properties of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine?
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine has a molecular weight of 407.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 24762465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).