4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide

C27H26N6O3 — CID 58385353

IUPAC4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCc1cccc(-n2nc(C3CCC3)cc2NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3)cc2)c1
InChIInChI=1S/C27H26N6O3/c1-17-4-2-7-20(14-17)33-25(16-23(32-33)18-5-3-6-18)31-27(35)30-19-8-10-21(11-9-19)36-22-12-13-29-24(15-22)26(28)34/h2,4,7-16,18H,3,5-6H2,1H3,(H2,28,34)(H2,30,31,35)
InChIKeyYORRLOPUBJTXGJ-UHFFFAOYSA-N
MW482.54 g/mol
LogP5.38
Rot. Bonds7

About 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide

4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 58385353) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
PubChem CID58385353
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC Name4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCc1cccc(-n2nc(C3CCC3)cc2NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3)cc2)c1
InChIInChI=1S/C27H26N6O3/c1-17-4-2-7-20(14-17)33-25(16-23(32-33)18-5-3-6-18)31-27(35)30-19-8-10-21(11-9-19)36-22-12-13-29-24(15-22)26(28)34/h2,4,7-16,18H,3,5-6H2,1H3,(H2,28,34)(H2,30,31,35)
InChIKeyYORRLOPUBJTXGJ-UHFFFAOYSA-N
XLogP5.38
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide (CID 58385353) is 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide is Cc1cccc(-n2nc(C3CCC3)cc2NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3)cc2)c1.
What is the InChIKey of 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The InChIKey is YORRLOPUBJTXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-17-4-2-7-20(14-17)33-25(16-23(32-33)18-5-3-6-18)31-27(35)30-19-8-10-21(11-9-19)36-22-12-13-29-24(15-22)26(28)34/h2,4,7-16,18H,3,5-6H2,1H3,(H2,28,34)(H2,30,31,35).
What are the key properties of 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 5.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 58385353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).