N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide

C20H18N6O2 — CID 135351061

IUPACN-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O
InChIInChI=1S/C20H18N6O2/c1-12(27)22-14-5-8-16-13(9-14)10-25(20(16)28)18-4-2-3-17(23-18)19-24-21-11-26(19)15-6-7-15/h2-5,8-9,11,15H,6-7,10H2,1H3,(H,22,27)
InChIKeyJMWUINDPNXOLQK-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.79
Rot. Bonds4

About N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide

N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide (PubChem CID 135351061) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide
PubChem CID135351061
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O
InChIInChI=1S/C20H18N6O2/c1-12(27)22-14-5-8-16-13(9-14)10-25(20(16)28)18-4-2-3-17(23-18)19-24-21-11-26(19)15-6-7-15/h2-5,8-9,11,15H,6-7,10H2,1H3,(H,22,27)
InChIKeyJMWUINDPNXOLQK-UHFFFAOYSA-N
XLogP2.79
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide?
The IUPAC name of N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide (CID 135351061) is N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide.
What is the SMILES notation for N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide?
The canonical SMILES for N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)CN(c1cccc(-c3nncn3C3CC3)n1)C2=O.
What is the InChIKey of N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide?
The InChIKey is JMWUINDPNXOLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-12(27)22-14-5-8-16-13(9-14)10-25(20(16)28)18-4-2-3-17(23-18)19-24-21-11-26(19)15-6-7-15/h2-5,8-9,11,15H,6-7,10H2,1H3,(H,22,27).
What are the key properties of N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide?
N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindol-5-yl]acetamide is sourced from PubChem (CID 135351061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).