2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile

C21H26N6O2S — CID 132772243

IUPAC2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile
SMILESN#CCN1CCCC(c2cccc(Nc3nc(C(=O)N4CCC(O)CC4)cs3)n2)C1
InChIInChI=1S/C21H26N6O2S/c22-8-12-26-9-2-3-15(13-26)17-4-1-5-19(23-17)25-21-24-18(14-30-21)20(29)27-10-6-16(28)7-11-27/h1,4-5,14-16,28H,2-3,6-7,9-13H2,(H,23,24,25)
InChIKeySEKAMTOGNSZUQZ-UHFFFAOYSA-N
MW426.55 g/mol
LogP2.58
Rot. Bonds5

About 2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile

2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile (PubChem CID 132772243) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is 2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile
PubChem CID132772243
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC Name2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile
SMILESN#CCN1CCCC(c2cccc(Nc3nc(C(=O)N4CCC(O)CC4)cs3)n2)C1
InChIInChI=1S/C21H26N6O2S/c22-8-12-26-9-2-3-15(13-26)17-4-1-5-19(23-17)25-21-24-18(14-30-21)20(29)27-10-6-16(28)7-11-27/h1,4-5,14-16,28H,2-3,6-7,9-13H2,(H,23,24,25)
InChIKeySEKAMTOGNSZUQZ-UHFFFAOYSA-N
XLogP2.58
TPSA105.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile (CID 132772243) is 2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile is N#CCN1CCCC(c2cccc(Nc3nc(C(=O)N4CCC(O)CC4)cs3)n2)C1.
What is the InChIKey of 2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile?
The InChIKey is SEKAMTOGNSZUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c22-8-12-26-9-2-3-15(13-26)17-4-1-5-19(23-17)25-21-24-18(14-30-21)20(29)27-10-6-16(28)7-11-27/h1,4-5,14-16,28H,2-3,6-7,9-13H2,(H,23,24,25).
What are the key properties of 2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile?
2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile has a molecular weight of 426.55 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile is sourced from PubChem (CID 132772243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).