2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol

C25H39N3O2 — CID 143580493

IUPAC2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol
SMILESCCCC(CO)Cc1cc(CC)c(-c2ccc(C(C)C)nc2OC)nc1N(C)CC
InChIInChI=1S/C25H39N3O2/c1-8-11-18(16-29)14-20-15-19(9-2)23(27-24(20)28(6)10-3)21-12-13-22(17(4)5)26-25(21)30-7/h12-13,15,17-18,29H,8-11,14,16H2,1-7H3
InChIKeyKLKPKUVFFDBSAP-UHFFFAOYSA-N
MW413.61 g/mol
LogP5.25
Rot. Bonds11

About 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol

2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol (PubChem CID 143580493) has the molecular formula C25H39N3O2 and a molecular weight of 413.61 g/mol. Its IUPAC name is 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol.

Molecular Properties

Compound Name2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol
PubChem CID143580493
Molecular FormulaC25H39N3O2
Molecular Weight413.61 g/mol
Exact Mass413.30
IUPAC Name2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol
SMILESCCCC(CO)Cc1cc(CC)c(-c2ccc(C(C)C)nc2OC)nc1N(C)CC
InChIInChI=1S/C25H39N3O2/c1-8-11-18(16-29)14-20-15-19(9-2)23(27-24(20)28(6)10-3)21-12-13-22(17(4)5)26-25(21)30-7/h12-13,15,17-18,29H,8-11,14,16H2,1-7H3
InChIKeyKLKPKUVFFDBSAP-UHFFFAOYSA-N
XLogP5.25
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol?
The IUPAC name of 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol (CID 143580493) is 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol.
What is the SMILES notation for 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol?
The canonical SMILES for 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol is CCCC(CO)Cc1cc(CC)c(-c2ccc(C(C)C)nc2OC)nc1N(C)CC.
What is the InChIKey of 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol?
The InChIKey is KLKPKUVFFDBSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O2/c1-8-11-18(16-29)14-20-15-19(9-2)23(27-24(20)28(6)10-3)21-12-13-22(17(4)5)26-25(21)30-7/h12-13,15,17-18,29H,8-11,14,16H2,1-7H3.
What are the key properties of 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol?
2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol has a molecular weight of 413.61 g/mol, XLogP of 5.25, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol is sourced from PubChem (CID 143580493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).