6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine

C22H24N4 — CID 174663749

IUPAC6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine
SMILESNCc1nc(-c2ccc(C3(N)CCC3)cc2)c(-c2ccccc2)cc1N
InChIInChI=1S/C22H24N4/c23-14-20-19(24)13-18(15-5-2-1-3-6-15)21(26-20)16-7-9-17(10-8-16)22(25)11-4-12-22/h1-3,5-10,13H,4,11-12,14,23-25H2
InChIKeyWBKHVDHSGPXOJV-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.79
Rot. Bonds4

About 6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine

6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine (PubChem CID 174663749) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine.

Molecular Properties

Compound Name6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine
PubChem CID174663749
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine
SMILESNCc1nc(-c2ccc(C3(N)CCC3)cc2)c(-c2ccccc2)cc1N
InChIInChI=1S/C22H24N4/c23-14-20-19(24)13-18(15-5-2-1-3-6-15)21(26-20)16-7-9-17(10-8-16)22(25)11-4-12-22/h1-3,5-10,13H,4,11-12,14,23-25H2
InChIKeyWBKHVDHSGPXOJV-UHFFFAOYSA-N
XLogP3.79
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine?
The IUPAC name of 6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine (CID 174663749) is 6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine.
What is the SMILES notation for 6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine?
The canonical SMILES for 6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine is NCc1nc(-c2ccc(C3(N)CCC3)cc2)c(-c2ccccc2)cc1N.
What is the InChIKey of 6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine?
The InChIKey is WBKHVDHSGPXOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c23-14-20-19(24)13-18(15-5-2-1-3-6-15)21(26-20)16-7-9-17(10-8-16)22(25)11-4-12-22/h1-3,5-10,13H,4,11-12,14,23-25H2.
What are the key properties of 6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine?
6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine has a molecular weight of 344.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine is sourced from PubChem (CID 174663749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).