trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol

C20H22N6O — CID 163885686

IUPACtrans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol
SMILES[H]/N=N/c1ccc(N[C@@H]2CCC[C@H]2O)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C20H22N6O/c21-26-17-8-9-19(24-16-4-1-5-18(16)27)25-20(17)23-12-13-6-7-15-14(11-13)3-2-10-22-15/h2-3,6-11,16,18,21,27H,1,4-5,12H2,(H2,23,24,25)/b26-21+/t16-,18-/m1/s1
InChIKeyPXCUJNPZZKSOLL-FEJRMCNISA-N
MW362.44 g/mol
LogP4.23
Rot. Bonds6

About trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol

trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol (PubChem CID 163885686) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol
PubChem CID163885686
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Nametrans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol
SMILES[H]/N=N/c1ccc(N[C@@H]2CCC[C@H]2O)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C20H22N6O/c21-26-17-8-9-19(24-16-4-1-5-18(16)27)25-20(17)23-12-13-6-7-15-14(11-13)3-2-10-22-15/h2-3,6-11,16,18,21,27H,1,4-5,12H2,(H2,23,24,25)/b26-21+/t16-,18-/m1/s1
InChIKeyPXCUJNPZZKSOLL-FEJRMCNISA-N
XLogP4.23
TPSA106.28 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-Amino-3-(7-(4-(dimethylamino)phenyl)-1,6-naphthyridin-5-ylamino)propan-2-ol
CID 10149940
4-[7-(4-Dimethylamino-phenyl)-[1,6]naphthyridin-5-ylamino]-butan-1-ol
CID 10286667
2-[[1-(6-Quinolinylmethyl)-1H-1,2,3-triazolo[4,5-b]pyrazin-6-yl]amino]ethanol
CID 59341900
US11535615, Example 18
CID 129244872
US11535615, Example 2
CID 129244876
[1-[3-[(1-Quinolin-2-ylazetidin-3-yl)amino]pyrazin-2-yl]piperidin-4-yl]methanol
CID 54671147
[(2S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol
CID 58547100
[(2S,4S)-4-fluoro-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol
CID 58547102
US11458138, Example 26
CID 135368496
US11458138, Example 33
CID 137350642
2-[[8-(2-Methyl-3-phenylanilino)-1,7-naphthyridin-2-yl]methylamino]ethanol
CID 162647272
trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol
CID 118264091

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol (CID 163885686) is trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol is [H]/N=N/c1ccc(N[C@@H]2CCC[C@H]2O)nc1NCc1ccc2ncccc2c1.
What is the InChIKey of trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol?
The InChIKey is PXCUJNPZZKSOLL-FEJRMCNISA-N. The full InChI is InChI=1S/C20H22N6O/c21-26-17-8-9-19(24-16-4-1-5-18(16)27)25-20(17)23-12-13-6-7-15-14(11-13)3-2-10-22-15/h2-3,6-11,16,18,21,27H,1,4-5,12H2,(H2,23,24,25)/b26-21+/t16-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol has a molecular weight of 362.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol is sourced from PubChem (CID 163885686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).