N-[4-[4-ethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]pyridine-4-carboxamide

C18H15N7O2S — CID 58094800

IUPACN-[4-[4-ethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCCOc1nc(-c2ccnc(NC(=O)c3ccncc3)c2)sc1-c1ncn[nH]1
InChIInChI=1S/C18H15N7O2S/c1-2-27-17-14(15-21-10-22-25-15)28-18(24-17)12-5-8-20-13(9-12)23-16(26)11-3-6-19-7-4-11/h3-10H,2H2,1H3,(H,20,23,26)(H,21,22,25)
InChIKeyUUTGUIBWAKSLLZ-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.04
Rot. Bonds6

About N-[4-[4-ethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]pyridine-4-carboxamide

N-[4-[4-ethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 58094800) has the molecular formula C18H15N7O2S and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[4-[4-ethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-ethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]pyridine-4-carboxamide
PubChem CID58094800
Molecular FormulaC18H15N7O2S
Molecular Weight393.43 g/mol
Exact Mass393.10
IUPAC NameN-[4-[4-ethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCCOc1nc(-c2ccnc(NC(=O)c3ccncc3)c2)sc1-c1ncn[nH]1
InChIInChI=1S/C18H15N7O2S/c1-2-27-17-14(15-21-10-22-25-15)28-18(24-17)12-5-8-20-13(9-12)23-16(26)11-3-6-19-7-4-11/h3-10H,2H2,1H3,(H,20,23,26)(H,21,22,25)
InChIKeyUUTGUIBWAKSLLZ-UHFFFAOYSA-N
XLogP3.04
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-ethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[4-ethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]pyridine-4-carboxamide (CID 58094800) is N-[4-[4-ethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[4-ethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[4-ethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]pyridine-4-carboxamide is CCOc1nc(-c2ccnc(NC(=O)c3ccncc3)c2)sc1-c1ncn[nH]1.
What is the InChIKey of N-[4-[4-ethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is UUTGUIBWAKSLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2S/c1-2-27-17-14(15-21-10-22-25-15)28-18(24-17)12-5-8-20-13(9-12)23-16(26)11-3-6-19-7-4-11/h3-10H,2H2,1H3,(H,20,23,26)(H,21,22,25).
What are the key properties of N-[4-[4-ethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
N-[4-[4-ethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-ethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 58094800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).