3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine

C23H21Cl2N7 — CID 58179742

IUPAC3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2cccc(CN3CCCC3)c2)cc1-c1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C23H21Cl2N7/c24-19-7-4-8-20(21(19)25)32-23(28-29-30-32)18-12-17(13-27-22(18)26)16-6-3-5-15(11-16)14-31-9-1-2-10-31/h3-8,11-13H,1-2,9-10,14H2,(H2,26,27)
InChIKeyUKMPKDYCWUZBQS-UHFFFAOYSA-N
MW466.38 g/mol
LogP4.88
Rot. Bonds5

About 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine

3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine (PubChem CID 58179742) has the molecular formula C23H21Cl2N7 and a molecular weight of 466.38 g/mol. Its IUPAC name is 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
PubChem CID58179742
Molecular FormulaC23H21Cl2N7
Molecular Weight466.38 g/mol
Exact Mass465.12
IUPAC Name3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2cccc(CN3CCCC3)c2)cc1-c1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C23H21Cl2N7/c24-19-7-4-8-20(21(19)25)32-23(28-29-30-32)18-12-17(13-27-22(18)26)16-6-3-5-15(11-16)14-31-9-1-2-10-31/h3-8,11-13H,1-2,9-10,14H2,(H2,26,27)
InChIKeyUKMPKDYCWUZBQS-UHFFFAOYSA-N
XLogP4.88
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 54.88
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-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine (CID 58179742) is 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine is Nc1ncc(-c2cccc(CN3CCCC3)c2)cc1-c1nnnn1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?
The InChIKey is UKMPKDYCWUZBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N7/c24-19-7-4-8-20(21(19)25)32-23(28-29-30-32)18-12-17(13-27-22(18)26)16-6-3-5-15(11-16)14-31-9-1-2-10-31/h3-8,11-13H,1-2,9-10,14H2,(H2,26,27).
What are the key properties of 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?
3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine has a molecular weight of 466.38 g/mol, XLogP of 4.88, 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-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 58179742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).