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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Related Compounds

2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one
CID 53261732
1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
CID 46927249
1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
CID 58524849
1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
CID 89044335
1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
CID 46927245
1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine
CID 160935356
1-[4-(3,12-diphenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-11-yl)phenyl]cyclobutan-1-amine
CID 53261684
1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
CID 44548388
4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol
CID 58524549
6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 53262178
4-[[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]butan-1-ol
CID 67002267
6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 53261991

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).