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

C25H24N6O2 — CID 58102988

IUPACN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCC(C)(O)c1ccc(-c2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)c3)c2)cn1
InChIInChI=1S/C25H24N6O2/c1-25(2,33)22-9-6-18(14-27-22)16-10-11-26-21(13-16)24(32)29-19-5-3-4-17(12-19)23-30-28-15-31(23)20-7-8-20/h3-6,9-15,20,33H,7-8H2,1-2H3,(H,29,32)
InChIKeyGXYQTJPYHJWXBU-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.22
Rot. Bonds6

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

N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 58102988) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID58102988
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCC(C)(O)c1ccc(-c2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)c3)c2)cn1
InChIInChI=1S/C25H24N6O2/c1-25(2,33)22-9-6-18(14-27-22)16-10-11-26-21(13-16)24(32)29-19-5-3-4-17(12-19)23-30-28-15-31(23)20-7-8-20/h3-6,9-15,20,33H,7-8H2,1-2H3,(H,29,32)
InChIKeyGXYQTJPYHJWXBU-UHFFFAOYSA-N
XLogP4.22
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
CID 58102999
USRE48711, Example 59
CID 49870614
USRE48711, Example 58
CID 49870615
USRE48711, Example 157
CID 58102936
USRE48711, Example 93
CID 58102944
USRE48711, Example 171
CID 58102945
USRE48711, Example 60
CID 58102969
USRE48711, Example 52
CID 58102971
USRE48711, Example 124
CID 58102984
USRE48711, Example 155
CID 58102997
USRE48711, Example 147
CID 58103007
USRE48711, Example 138
CID 58103030

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide (CID 58102988) is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide is CC(C)(O)c1ccc(-c2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)c3)c2)cn1.
What is the InChIKey of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is GXYQTJPYHJWXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-25(2,33)22-9-6-18(14-27-22)16-10-11-26-21(13-16)24(32)29-19-5-3-4-17(12-19)23-30-28-15-31(23)20-7-8-20/h3-6,9-15,20,33H,7-8H2,1-2H3,(H,29,32).
What are the key properties of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide?
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 58102988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).