N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[6-(1-hydroxyethenyl)-3-pyridinyl]pyridine-2-carboxamide

C23H19N7O2 — CID 89369107

IUPACN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[6-(1-hydroxyethenyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESC=C(O)c1ccc(-c2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)cn1
InChIInChI=1S/C23H19N7O2/c1-14(31)18-8-5-16(12-25-18)15-9-10-24-20(11-15)23(32)28-21-4-2-3-19(27-21)22-29-26-13-30(22)17-6-7-17/h2-5,8-13,17,31H,1,6-7H2,(H,27,28,32)
InChIKeyZZFNEUGNYIMVDK-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.91
Rot. Bonds6

About N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[6-(1-hydroxyethenyl)-3-pyridinyl]pyridine-2-carboxamide

N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[6-(1-hydroxyethenyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 89369107) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[6-(1-hydroxyethenyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[6-(1-hydroxyethenyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID89369107
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[6-(1-hydroxyethenyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESC=C(O)c1ccc(-c2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)cn1
InChIInChI=1S/C23H19N7O2/c1-14(31)18-8-5-16(12-25-18)15-9-10-24-20(11-15)23(32)28-21-4-2-3-19(27-21)22-29-26-13-30(22)17-6-7-17/h2-5,8-13,17,31H,1,6-7H2,(H,27,28,32)
InChIKeyZZFNEUGNYIMVDK-UHFFFAOYSA-N
XLogP3.91
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[6-(1-hydroxyethenyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[6-(1-hydroxyethenyl)-3-pyridinyl]pyridine-2-carboxamide (CID 89369107) is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[6-(1-hydroxyethenyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[6-(1-hydroxyethenyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[6-(1-hydroxyethenyl)-3-pyridinyl]pyridine-2-carboxamide is C=C(O)c1ccc(-c2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)cn1.
What is the InChIKey of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[6-(1-hydroxyethenyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is ZZFNEUGNYIMVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-14(31)18-8-5-16(12-25-18)15-9-10-24-20(11-15)23(32)28-21-4-2-3-19(27-21)22-29-26-13-30(22)17-6-7-17/h2-5,8-13,17,31H,1,6-7H2,(H,27,28,32).
What are the key properties of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[6-(1-hydroxyethenyl)-3-pyridinyl]pyridine-2-carboxamide?
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[6-(1-hydroxyethenyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[6-(1-hydroxyethenyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 89369107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).