N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C25H23N5O3S — CID 23144160

IUPACN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(c1ccccn1)c1sc(NC(=O)C2CCN(Cc3cccnc3)CC2)nc1-c1ccco1
InChIInChI=1S/C25H23N5O3S/c31-22(19-6-1-2-11-27-19)23-21(20-7-4-14-33-20)28-25(34-23)29-24(32)18-8-12-30(13-9-18)16-17-5-3-10-26-15-17/h1-7,10-11,14-15,18H,8-9,12-13,16H2,(H,28,29,32)
InChIKeyGCGDAKIAYBWUDG-UHFFFAOYSA-N
MW473.56 g/mol
LogP4.27
Rot. Bonds7

About N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide

N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 23144160) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID23144160
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC NameN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(c1ccccn1)c1sc(NC(=O)C2CCN(Cc3cccnc3)CC2)nc1-c1ccco1
InChIInChI=1S/C25H23N5O3S/c31-22(19-6-1-2-11-27-19)23-21(20-7-4-14-33-20)28-25(34-23)29-24(32)18-8-12-30(13-9-18)16-17-5-3-10-26-15-17/h1-7,10-11,14-15,18H,8-9,12-13,16H2,(H,28,29,32)
InChIKeyGCGDAKIAYBWUDG-UHFFFAOYSA-N
XLogP4.27
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 23144160) is N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(c1ccccn1)c1sc(NC(=O)C2CCN(Cc3cccnc3)CC2)nc1-c1ccco1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is GCGDAKIAYBWUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c31-22(19-6-1-2-11-27-19)23-21(20-7-4-14-33-20)28-25(34-23)29-24(32)18-8-12-30(13-9-18)16-17-5-3-10-26-15-17/h1-7,10-11,14-15,18H,8-9,12-13,16H2,(H,28,29,32).
What are the key properties of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 23144160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).