N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide

C25H22N8O — CID 66900603

IUPACN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(N2C=C(c3ccccc3)NC2)ccn1
InChIInChI=1S/C25H22N8O/c34-25(30-23-8-4-7-20(29-23)24-31-28-16-33(24)18-9-10-18)21-13-19(11-12-26-21)32-14-22(27-15-32)17-5-2-1-3-6-17/h1-8,11-14,16,18,27H,9-10,15H2,(H,29,30,34)
InChIKeyBTYIRASRVGMSAG-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.69
Rot. Bonds6

About N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide

N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide (PubChem CID 66900603) has the molecular formula C25H22N8O and a molecular weight of 450.51 g/mol. Its IUPAC name is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide
PubChem CID66900603
Molecular FormulaC25H22N8O
Molecular Weight450.51 g/mol
Exact Mass450.19
IUPAC NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(N2C=C(c3ccccc3)NC2)ccn1
InChIInChI=1S/C25H22N8O/c34-25(30-23-8-4-7-20(29-23)24-31-28-16-33(24)18-9-10-18)21-13-19(11-12-26-21)32-14-22(27-15-32)17-5-2-1-3-6-17/h1-8,11-14,16,18,27H,9-10,15H2,(H,29,30,34)
InChIKeyBTYIRASRVGMSAG-UHFFFAOYSA-N
XLogP3.69
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide (CID 66900603) is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide is O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(N2C=C(c3ccccc3)NC2)ccn1.
What is the InChIKey of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide?
The InChIKey is BTYIRASRVGMSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O/c34-25(30-23-8-4-7-20(29-23)24-31-28-16-33(24)18-9-10-18)21-13-19(11-12-26-21)32-14-22(27-15-32)17-5-2-1-3-6-17/h1-8,11-14,16,18,27H,9-10,15H2,(H,29,30,34).
What are the key properties of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide?
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 3.69, 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-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 66900603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).