6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

C28H30N6O3S — CID 66710626

IUPAC6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESN#Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5nccs5)CC4)cn3)CC2)cc1
InChIInChI=1S/C28H30N6O3S/c29-17-20-1-4-23(5-2-20)37-24-9-14-34(15-10-24)28(36)25-6-3-21(18-31-25)27(35)32-22-7-12-33(13-8-22)19-26-30-11-16-38-26/h1-6,11,16,18,22,24H,7-10,12-15,19H2,(H,32,35)
InChIKeySMBYEQDVWMFBTL-UHFFFAOYSA-N
MW530.65 g/mol
LogP3.49
Rot. Bonds7

About 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 66710626) has the molecular formula C28H30N6O3S and a molecular weight of 530.65 g/mol. Its IUPAC name is 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID66710626
Molecular FormulaC28H30N6O3S
Molecular Weight530.65 g/mol
Exact Mass530.21
IUPAC Name6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESN#Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5nccs5)CC4)cn3)CC2)cc1
InChIInChI=1S/C28H30N6O3S/c29-17-20-1-4-23(5-2-20)37-24-9-14-34(15-10-24)28(36)25-6-3-21(18-31-25)27(35)32-22-7-12-33(13-8-22)19-26-30-11-16-38-26/h1-6,11,16,18,22,24H,7-10,12-15,19H2,(H,32,35)
InChIKeySMBYEQDVWMFBTL-UHFFFAOYSA-N
XLogP3.49
TPSA111.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.65
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 66710626) is 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is N#Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5nccs5)CC4)cn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is SMBYEQDVWMFBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3S/c29-17-20-1-4-23(5-2-20)37-24-9-14-34(15-10-24)28(36)25-6-3-21(18-31-25)27(35)32-22-7-12-33(13-8-22)19-26-30-11-16-38-26/h1-6,11,16,18,22,24H,7-10,12-15,19H2,(H,32,35).
What are the key properties of 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 530.65 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 66710626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).