N-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide

C19H25N5O2 — CID 38305477

IUPACN-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide
SMILESO=C(CCNC(=O)C1CCCC1)NCc1ccccc1Cn1cncn1
InChIInChI=1S/C19H25N5O2/c25-18(9-10-21-19(26)15-5-1-2-6-15)22-11-16-7-3-4-8-17(16)12-24-14-20-13-23-24/h3-4,7-8,13-15H,1-2,5-6,9-12H2,(H,21,26)(H,22,25)
InChIKeyZYQBEKZKUXPFEW-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.64
Rot. Bonds8

About N-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide

N-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide (PubChem CID 38305477) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide
PubChem CID38305477
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide
SMILESO=C(CCNC(=O)C1CCCC1)NCc1ccccc1Cn1cncn1
InChIInChI=1S/C19H25N5O2/c25-18(9-10-21-19(26)15-5-1-2-6-15)22-11-16-7-3-4-8-17(16)12-24-14-20-13-23-24/h3-4,7-8,13-15H,1-2,5-6,9-12H2,(H,21,26)(H,22,25)
InChIKeyZYQBEKZKUXPFEW-UHFFFAOYSA-N
XLogP1.64
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide (CID 38305477) is N-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide is O=C(CCNC(=O)C1CCCC1)NCc1ccccc1Cn1cncn1.
What is the InChIKey of N-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide?
The InChIKey is ZYQBEKZKUXPFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-18(9-10-21-19(26)15-5-1-2-6-15)22-11-16-7-3-4-8-17(16)12-24-14-20-13-23-24/h3-4,7-8,13-15H,1-2,5-6,9-12H2,(H,21,26)(H,22,25).
What are the key properties of N-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide?
N-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 38305477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).