6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C22H26N6O2S — CID 133364265

IUPAC6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCC(Nc1ccc(C(=O)Nc2nncs2)cn1)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C22H26N6O2S/c1-2-18(19-14-28(10-11-30-19)13-16-6-4-3-5-7-16)25-20-9-8-17(12-23-20)21(29)26-22-27-24-15-31-22/h3-9,12,15,18-19H,2,10-11,13-14H2,1H3,(H,23,25)(H,26,27,29)
InChIKeyAYNJXVLFQBCAEA-UHFFFAOYSA-N
MW438.56 g/mol
LogP3.28
Rot. Bonds8

About 6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133364265) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133364265
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCC(Nc1ccc(C(=O)Nc2nncs2)cn1)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C22H26N6O2S/c1-2-18(19-14-28(10-11-30-19)13-16-6-4-3-5-7-16)25-20-9-8-17(12-23-20)21(29)26-22-27-24-15-31-22/h3-9,12,15,18-19H,2,10-11,13-14H2,1H3,(H,23,25)(H,26,27,29)
InChIKeyAYNJXVLFQBCAEA-UHFFFAOYSA-N
XLogP3.28
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133364265) is 6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CCC(Nc1ccc(C(=O)Nc2nncs2)cn1)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is AYNJXVLFQBCAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-2-18(19-14-28(10-11-30-19)13-16-6-4-3-5-7-16)25-20-9-8-17(12-23-20)21(29)26-22-27-24-15-31-22/h3-9,12,15,18-19H,2,10-11,13-14H2,1H3,(H,23,25)(H,26,27,29).
What are the key properties of 6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 438.56 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133364265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).