4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide

C23H23N7O — CID 58103093

IUPAC4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)c1
InChIInChI=1S/C23H23N7O/c1-15(2)30-14-26-28-22(30)17-4-3-5-18(10-17)27-23(31)20-11-19(8-9-24-20)29-12-21(25-13-29)16-6-7-16/h3-5,8-16H,6-7H2,1-2H3,(H,27,31)
InChIKeyUIZCAIJJBDQQHD-UHFFFAOYSA-N
MW413.49 g/mol
LogP4.24
Rot. Bonds6

About 4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide

4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (PubChem CID 58103093) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
PubChem CID58103093
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)c1
InChIInChI=1S/C23H23N7O/c1-15(2)30-14-26-28-22(30)17-4-3-5-18(10-17)27-23(31)20-11-19(8-9-24-20)29-12-21(25-13-29)16-6-7-16/h3-5,8-16H,6-7H2,1-2H3,(H,27,31)
InChIKeyUIZCAIJJBDQQHD-UHFFFAOYSA-N
XLogP4.24
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (CID 58103093) is 4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)c1.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is UIZCAIJJBDQQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-15(2)30-14-26-28-22(30)17-4-3-5-18(10-17)27-23(31)20-11-19(8-9-24-20)29-12-21(25-13-29)16-6-7-16/h3-5,8-16H,6-7H2,1-2H3,(H,27,31).
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58103093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).