2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide

C19H21N7O2 — CID 131943936

IUPAC2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(C(=O)CCn2nnc3ccccc32)CC1
InChIInChI=1S/C19H21N7O2/c20-18(28)14-4-3-8-21-19(14)25-12-10-24(11-13-25)17(27)7-9-26-16-6-2-1-5-15(16)22-23-26/h1-6,8H,7,9-13H2,(H2,20,28)
InChIKeyAPRCQGJHNNCGNG-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.66
Rot. Bonds5

About 2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide

2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 131943936) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID131943936
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(C(=O)CCn2nnc3ccccc32)CC1
InChIInChI=1S/C19H21N7O2/c20-18(28)14-4-3-8-21-19(14)25-12-10-24(11-13-25)17(27)7-9-26-16-6-2-1-5-15(16)22-23-26/h1-6,8H,7,9-13H2,(H2,20,28)
InChIKeyAPRCQGJHNNCGNG-UHFFFAOYSA-N
XLogP0.66
TPSA110.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide (CID 131943936) is 2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCN(C(=O)CCn2nnc3ccccc32)CC1.
What is the InChIKey of 2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is APRCQGJHNNCGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c20-18(28)14-4-3-8-21-19(14)25-12-10-24(11-13-25)17(27)7-9-26-16-6-2-1-5-15(16)22-23-26/h1-6,8H,7,9-13H2,(H2,20,28).
What are the key properties of 2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide?
2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(benzotriazol-1-yl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 131943936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).