N-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide

C22H19N3O3 — CID 6460189

IUPACN-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc(NC(=O)C2OCCc3ccccc32)cc1
InChIInChI=1S/C22H19N3O3/c26-21(25-18-5-3-12-23-14-18)16-7-9-17(10-8-16)24-22(27)20-19-6-2-1-4-15(19)11-13-28-20/h1-10,12,14,20H,11,13H2,(H,24,27)(H,25,26)
InChIKeyUQOGEMLRETTZNJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.59
Rot. Bonds4

About N-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide

N-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 6460189) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID6460189
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc(NC(=O)C2OCCc3ccccc32)cc1
InChIInChI=1S/C22H19N3O3/c26-21(25-18-5-3-12-23-14-18)16-7-9-17(10-8-16)24-22(27)20-19-6-2-1-4-15(19)11-13-28-20/h1-10,12,14,20H,11,13H2,(H,24,27)(H,25,26)
InChIKeyUQOGEMLRETTZNJ-UHFFFAOYSA-N
XLogP3.59
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide (CID 6460189) is N-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide is O=C(Nc1cccnc1)c1ccc(NC(=O)C2OCCc3ccccc32)cc1.
What is the InChIKey of N-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is UQOGEMLRETTZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-21(25-18-5-3-12-23-14-18)16-7-9-17(10-8-16)24-22(27)20-19-6-2-1-4-15(19)11-13-28-20/h1-10,12,14,20H,11,13H2,(H,24,27)(H,25,26).
What are the key properties of N-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
N-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 6460189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).