propan-2-yl 2-[2-[cyclohexylmethyl(propyl)amino]ethyl-methylamino]pyridine-3-carboxylate

C22H37N3O2 — CID 134224538

IUPACpropan-2-yl 2-[2-[cyclohexylmethyl(propyl)amino]ethyl-methylamino]pyridine-3-carboxylate
SMILESCCCN(CCN(C)c1ncccc1C(=O)OC(C)C)CC1CCCCC1
InChIInChI=1S/C22H37N3O2/c1-5-14-25(17-19-10-7-6-8-11-19)16-15-24(4)21-20(12-9-13-23-21)22(26)27-18(2)3/h9,12-13,18-19H,5-8,10-11,14-17H2,1-4H3
InChIKeyZQBHSWVYPSKNFP-UHFFFAOYSA-N
MW375.56 g/mol
LogP4.38
Rot. Bonds10

About propan-2-yl 2-[2-[cyclohexylmethyl(propyl)amino]ethyl-methylamino]pyridine-3-carboxylate

propan-2-yl 2-[2-[cyclohexylmethyl(propyl)amino]ethyl-methylamino]pyridine-3-carboxylate (PubChem CID 134224538) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is propan-2-yl 2-[2-[cyclohexylmethyl(propyl)amino]ethyl-methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-[cyclohexylmethyl(propyl)amino]ethyl-methylamino]pyridine-3-carboxylate
PubChem CID134224538
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC Namepropan-2-yl 2-[2-[cyclohexylmethyl(propyl)amino]ethyl-methylamino]pyridine-3-carboxylate
SMILESCCCN(CCN(C)c1ncccc1C(=O)OC(C)C)CC1CCCCC1
InChIInChI=1S/C22H37N3O2/c1-5-14-25(17-19-10-7-6-8-11-19)16-15-24(4)21-20(12-9-13-23-21)22(26)27-18(2)3/h9,12-13,18-19H,5-8,10-11,14-17H2,1-4H3
InChIKeyZQBHSWVYPSKNFP-UHFFFAOYSA-N
XLogP4.38
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-[cyclohexylmethyl(propyl)amino]ethyl-methylamino]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[2-[cyclohexylmethyl(propyl)amino]ethyl-methylamino]pyridine-3-carboxylate (CID 134224538) is propan-2-yl 2-[2-[cyclohexylmethyl(propyl)amino]ethyl-methylamino]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[2-[cyclohexylmethyl(propyl)amino]ethyl-methylamino]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[2-[cyclohexylmethyl(propyl)amino]ethyl-methylamino]pyridine-3-carboxylate is CCCN(CCN(C)c1ncccc1C(=O)OC(C)C)CC1CCCCC1.
What is the InChIKey of propan-2-yl 2-[2-[cyclohexylmethyl(propyl)amino]ethyl-methylamino]pyridine-3-carboxylate?
The InChIKey is ZQBHSWVYPSKNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-5-14-25(17-19-10-7-6-8-11-19)16-15-24(4)21-20(12-9-13-23-21)22(26)27-18(2)3/h9,12-13,18-19H,5-8,10-11,14-17H2,1-4H3.
What are the key properties of propan-2-yl 2-[2-[cyclohexylmethyl(propyl)amino]ethyl-methylamino]pyridine-3-carboxylate?
propan-2-yl 2-[2-[cyclohexylmethyl(propyl)amino]ethyl-methylamino]pyridine-3-carboxylate has a molecular weight of 375.56 g/mol, XLogP of 4.38, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-[cyclohexylmethyl(propyl)amino]ethyl-methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 134224538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).