N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide

C20H23N5O2 — CID 139387327

IUPACN-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(C3=CCC(NC(=O)C4CC4)CC3)n2n1)C1CC1
InChIInChI=1S/C20H23N5O2/c26-18(13-4-5-13)21-15-10-8-12(9-11-15)16-2-1-3-17-22-20(24-25(16)17)23-19(27)14-6-7-14/h1-3,8,13-15H,4-7,9-11H2,(H,21,26)(H,23,24,27)
InChIKeyZGAWRDQWSJYLKZ-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.54
Rot. Bonds5

About N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide

N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide (PubChem CID 139387327) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide
PubChem CID139387327
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(C3=CCC(NC(=O)C4CC4)CC3)n2n1)C1CC1
InChIInChI=1S/C20H23N5O2/c26-18(13-4-5-13)21-15-10-8-12(9-11-15)16-2-1-3-17-22-20(24-25(16)17)23-19(27)14-6-7-14/h1-3,8,13-15H,4-7,9-11H2,(H,21,26)(H,23,24,27)
InChIKeyZGAWRDQWSJYLKZ-UHFFFAOYSA-N
XLogP2.54
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide (CID 139387327) is N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(C3=CCC(NC(=O)C4CC4)CC3)n2n1)C1CC1.
What is the InChIKey of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide?
The InChIKey is ZGAWRDQWSJYLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-18(13-4-5-13)21-15-10-8-12(9-11-15)16-2-1-3-17-22-20(24-25(16)17)23-19(27)14-6-7-14/h1-3,8,13-15H,4-7,9-11H2,(H,21,26)(H,23,24,27).
What are the key properties of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide?
N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide is sourced from PubChem (CID 139387327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).