5-[2-carbamoyl-2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-1H-pyridin-4-yl]pyridine-2-carboxamide

C23H21N7O2 — CID 151990757

IUPAC5-[2-carbamoyl-2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-1H-pyridin-4-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(C2=CC(C(N)=O)(c3cccc(-c4nncn4C4CC4)c3)NC=C2)cn1
InChIInChI=1S/C23H21N7O2/c24-20(31)19-7-4-16(12-26-19)15-8-9-27-23(11-15,22(25)32)17-3-1-2-14(10-17)21-29-28-13-30(21)18-5-6-18/h1-4,7-13,18,27H,5-6H2,(H2,24,31)(H2,25,32)
InChIKeyUEPQKGBFTRSNHU-UHFFFAOYSA-N
MW427.47 g/mol
LogP1.65
Rot. Bonds6

About 5-[2-carbamoyl-2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-1H-pyridin-4-yl]pyridine-2-carboxamide

5-[2-carbamoyl-2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-1H-pyridin-4-yl]pyridine-2-carboxamide (PubChem CID 151990757) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 5-[2-carbamoyl-2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-1H-pyridin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-carbamoyl-2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-1H-pyridin-4-yl]pyridine-2-carboxamide
PubChem CID151990757
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name5-[2-carbamoyl-2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-1H-pyridin-4-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(C2=CC(C(N)=O)(c3cccc(-c4nncn4C4CC4)c3)NC=C2)cn1
InChIInChI=1S/C23H21N7O2/c24-20(31)19-7-4-16(12-26-19)15-8-9-27-23(11-15,22(25)32)17-3-1-2-14(10-17)21-29-28-13-30(21)18-5-6-18/h1-4,7-13,18,27H,5-6H2,(H2,24,31)(H2,25,32)
InChIKeyUEPQKGBFTRSNHU-UHFFFAOYSA-N
XLogP1.65
TPSA141.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-carbamoyl-2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-1H-pyridin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[2-carbamoyl-2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-1H-pyridin-4-yl]pyridine-2-carboxamide (CID 151990757) is 5-[2-carbamoyl-2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-1H-pyridin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-carbamoyl-2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-1H-pyridin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-carbamoyl-2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-1H-pyridin-4-yl]pyridine-2-carboxamide is NC(=O)c1ccc(C2=CC(C(N)=O)(c3cccc(-c4nncn4C4CC4)c3)NC=C2)cn1.
What is the InChIKey of 5-[2-carbamoyl-2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-1H-pyridin-4-yl]pyridine-2-carboxamide?
The InChIKey is UEPQKGBFTRSNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c24-20(31)19-7-4-16(12-26-19)15-8-9-27-23(11-15,22(25)32)17-3-1-2-14(10-17)21-29-28-13-30(21)18-5-6-18/h1-4,7-13,18,27H,5-6H2,(H2,24,31)(H2,25,32).
What are the key properties of 5-[2-carbamoyl-2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-1H-pyridin-4-yl]pyridine-2-carboxamide?
5-[2-carbamoyl-2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-1H-pyridin-4-yl]pyridine-2-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-carbamoyl-2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-1H-pyridin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 151990757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).