1,5-diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol

C22H26N4O — CID 130450718

IUPAC1,5-diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol
SMILESNc1cc(C(CCC(O)Cc2ccccc2)c2ccccc2)c(N)c(N)n1
InChIInChI=1S/C22H26N4O/c23-20-14-19(21(24)22(25)26-20)18(16-9-5-2-6-10-16)12-11-17(27)13-15-7-3-1-4-8-15/h1-10,14,17-18,27H,11-13,24H2,(H4,23,25,26)
InChIKeyPKXWTKWRZOVVIS-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.34
Rot. Bonds7

About 1,5-diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol

1,5-diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol (PubChem CID 130450718) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1,5-diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol.

Molecular Properties

Compound Name1,5-diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol
PubChem CID130450718
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1,5-diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol
SMILESNc1cc(C(CCC(O)Cc2ccccc2)c2ccccc2)c(N)c(N)n1
InChIInChI=1S/C22H26N4O/c23-20-14-19(21(24)22(25)26-20)18(16-9-5-2-6-10-16)12-11-17(27)13-15-7-3-1-4-8-15/h1-10,14,17-18,27H,11-13,24H2,(H4,23,25,26)
InChIKeyPKXWTKWRZOVVIS-UHFFFAOYSA-N
XLogP3.34
TPSA111.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

US9951014, Name 4
CID 90656637
1-(6-Amino-4-methylpyridin-2-yl)propan-2-ol
CID 42625616
(1S)-2-(6-amino-4-methylpyridin-2-yl)-1-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethanol
CID 73659114
4-Phenyl-3-phenyldiazenylpyridine-2,6-diamine
CID 178312609
4-[1-(2-Fluorophenyl)-2-phenylethyl]pyridine-2,3,6-triamine
CID 130450743
1-[4-(3,6-Diamino-2-hydrazinyl-4-pyridinyl)-4-phenylbutyl]-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol
CID 145371714
(2E)-5-hydroxy-N'-[3-(3-iodoiminobutan-2-ylideneamino)-6-(trifluoromethyl)-2-pyridinyl]-6,10-dimethylcyclodec-2-ene-1-carboximidamide
CID 173751316
2-(2-Amino-3-phenylquinolin-4-yl)ethanol
CID 166442196
2-[3-[3-[[(2-Amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol
CID 11551485
[3-[3-[[(2-Amino-3-pyridinyl)amino]methyl]phenyl]phenyl]methanol
CID 11565745
(2-Aminoquinolin-4-yl)-cyclohexylmethanol
CID 18511459
2-{4-[(3-Amino-6-methyl-2-pyridinyl)amino]phenyl}ethanol
CID 21875783

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol?
The IUPAC name of 1,5-diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol (CID 130450718) is 1,5-diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol.
What is the SMILES notation for 1,5-diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol?
The canonical SMILES for 1,5-diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol is Nc1cc(C(CCC(O)Cc2ccccc2)c2ccccc2)c(N)c(N)n1.
What is the InChIKey of 1,5-diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol?
The InChIKey is PKXWTKWRZOVVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c23-20-14-19(21(24)22(25)26-20)18(16-9-5-2-6-10-16)12-11-17(27)13-15-7-3-1-4-8-15/h1-10,14,17-18,27H,11-13,24H2,(H4,23,25,26).
What are the key properties of 1,5-diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol?
1,5-diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol has a molecular weight of 362.48 g/mol, XLogP of 3.34, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol is sourced from PubChem (CID 130450718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).