1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol

C44H43N9O3 — CID 143179153

IUPAC1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol
SMILESCN(c1cccnc1)c1ncccc1C(O)C(c1cccnc1)c1cccnc1.OC(c1cccnc1N1CCOCC1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H21N5O.C21H22N4O2/c1-28(19-8-4-12-26-16-19)23-20(9-5-13-27-23)22(29)21(17-6-2-10-24-14-17)18-7-3-11-25-15-18;26-20(18-6-3-9-24-21(18)25-10-12-27-13-11-25)19(16-4-1-7-22-14-16)17-5-2-8-23-15-17/h2-16,21-22,29H,1H3;1-9,14-15,19-20,26H,10-13H2
InChIKeyDVFCSNPNRRPKEQ-UHFFFAOYSA-N
MW745.89 g/mol
LogP6.47
Rot. Bonds11

About 1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol

1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol (PubChem CID 143179153) has the molecular formula C44H43N9O3 and a molecular weight of 745.89 g/mol. Its IUPAC name is 1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol.

Molecular Properties

Compound Name1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol
PubChem CID143179153
Molecular FormulaC44H43N9O3
Molecular Weight745.89 g/mol
Exact Mass745.35
IUPAC Name1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol
SMILESCN(c1cccnc1)c1ncccc1C(O)C(c1cccnc1)c1cccnc1.OC(c1cccnc1N1CCOCC1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H21N5O.C21H22N4O2/c1-28(19-8-4-12-26-16-19)23-20(9-5-13-27-23)22(29)21(17-6-2-10-24-14-17)18-7-3-11-25-15-18;26-20(18-6-3-9-24-21(18)25-10-12-27-13-11-25)19(16-4-1-7-22-14-16)17-5-2-8-23-15-17/h2-16,21-22,29H,1H3;1-9,14-15,19-20,26H,10-13H2
InChIKeyDVFCSNPNRRPKEQ-UHFFFAOYSA-N
XLogP6.47
TPSA146.40 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500745.89
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol?
The IUPAC name of 1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol (CID 143179153) is 1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol.
What is the SMILES notation for 1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol?
The canonical SMILES for 1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol is CN(c1cccnc1)c1ncccc1C(O)C(c1cccnc1)c1cccnc1.OC(c1cccnc1N1CCOCC1)C(c1cccnc1)c1cccnc1.
What is the InChIKey of 1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol?
The InChIKey is DVFCSNPNRRPKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O.C21H22N4O2/c1-28(19-8-4-12-26-16-19)23-20(9-5-13-27-23)22(29)21(17-6-2-10-24-14-17)18-7-3-11-25-15-18;26-20(18-6-3-9-24-21(18)25-10-12-27-13-11-25)19(16-4-1-7-22-14-16)17-5-2-8-23-15-17/h2-16,21-22,29H,1H3;1-9,14-15,19-20,26H,10-13H2.
What are the key properties of 1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol?
1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol has a molecular weight of 745.89 g/mol, XLogP of 6.47, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-(2-morpholin-4-yl-3-pyridinyl)-2,2-dipyridin-3-ylethanol is sourced from PubChem (CID 143179153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).