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

C26H27N7O3 — CID 135351091

IUPACN-[1-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindole-5-carbonyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1
InChIInChI=1S/C26H27N7O3/c1-16(34)28-19-9-11-31(12-10-19)25(35)17-5-8-21-18(13-17)14-32(26(21)36)23-4-2-3-22(29-23)24-30-27-15-33(24)20-6-7-20/h2-5,8,13,15,19-20H,6-7,9-12,14H2,1H3,(H,28,34)
InChIKeyVVPITATYRITTEY-UHFFFAOYSA-N
MW485.55 g/mol
LogP2.58
Rot. Bonds5

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

N-[1-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindole-5-carbonyl]piperidin-4-yl]acetamide (PubChem CID 135351091) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is N-[1-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindole-5-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindole-5-carbonyl]piperidin-4-yl]acetamide
PubChem CID135351091
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC NameN-[1-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindole-5-carbonyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1
InChIInChI=1S/C26H27N7O3/c1-16(34)28-19-9-11-31(12-10-19)25(35)17-5-8-21-18(13-17)14-32(26(21)36)23-4-2-3-22(29-23)24-30-27-15-33(24)20-6-7-20/h2-5,8,13,15,19-20H,6-7,9-12,14H2,1H3,(H,28,34)
InChIKeyVVPITATYRITTEY-UHFFFAOYSA-N
XLogP2.58
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindole-5-carbonyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindole-5-carbonyl]piperidin-4-yl]acetamide (CID 135351091) is N-[1-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindole-5-carbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindole-5-carbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindole-5-carbonyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2ccc3c(c2)CN(c2cccc(-c4nncn4C4CC4)n2)C3=O)CC1.
What is the InChIKey of N-[1-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindole-5-carbonyl]piperidin-4-yl]acetamide?
The InChIKey is VVPITATYRITTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-16(34)28-19-9-11-31(12-10-19)25(35)17-5-8-21-18(13-17)14-32(26(21)36)23-4-2-3-22(29-23)24-30-27-15-33(24)20-6-7-20/h2-5,8,13,15,19-20H,6-7,9-12,14H2,1H3,(H,28,34).
What are the key properties of N-[1-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindole-5-carbonyl]piperidin-4-yl]acetamide?
N-[1-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindole-5-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 485.55 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-isoindole-5-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 135351091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).