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

C26H26N6O — CID 58103028

IUPAC4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)c3)c2)cn1
InChIInChI=1S/C26H26N6O/c1-26(2,3)23-10-7-19(15-28-23)17-11-12-27-22(14-17)25(33)30-20-6-4-5-18(13-20)24-31-29-16-32(24)21-8-9-21/h4-7,10-16,21H,8-9H2,1-3H3,(H,30,33)
InChIKeyHTLNKQRNTPZZPF-UHFFFAOYSA-N
MW438.54 g/mol
LogP5.29
Rot. Bonds5

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

4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (PubChem CID 58103028) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is 4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
PubChem CID58103028
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC Name4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)c3)c2)cn1
InChIInChI=1S/C26H26N6O/c1-26(2,3)23-10-7-19(15-28-23)17-11-12-27-22(14-17)25(33)30-20-6-4-5-18(13-20)24-31-29-16-32(24)21-8-9-21/h4-7,10-16,21H,8-9H2,1-3H3,(H,30,33)
InChIKeyHTLNKQRNTPZZPF-UHFFFAOYSA-N
XLogP5.29
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.54
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (CID 58103028) is 4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is CC(C)(C)c1ccc(-c2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)c3)c2)cn1.
What is the InChIKey of 4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is HTLNKQRNTPZZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-26(2,3)23-10-7-19(15-28-23)17-11-12-27-22(14-17)25(33)30-20-6-4-5-18(13-20)24-31-29-16-32(24)21-8-9-21/h4-7,10-16,21H,8-9H2,1-3H3,(H,30,33).
What are the key properties of 4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 438.54 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58103028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).