N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide

C25H28N4O3 — CID 68751422

IUPACN-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(Nc1ccc(C2=CCN(C(=O)C3CCOCC3)CC2)nc1)N1Cc2ccccc2C1
InChIInChI=1S/C25H28N4O3/c30-24(19-9-13-32-14-10-19)28-11-7-18(8-12-28)23-6-5-22(15-26-23)27-25(31)29-16-20-3-1-2-4-21(20)17-29/h1-7,15,19H,8-14,16-17H2,(H,27,31)
InChIKeyXVHJZLXRPKFYOD-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.67
Rot. Bonds3

About N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide

N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 68751422) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID68751422
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(Nc1ccc(C2=CCN(C(=O)C3CCOCC3)CC2)nc1)N1Cc2ccccc2C1
InChIInChI=1S/C25H28N4O3/c30-24(19-9-13-32-14-10-19)28-11-7-18(8-12-28)23-6-5-22(15-26-23)27-25(31)29-16-20-3-1-2-4-21(20)17-29/h1-7,15,19H,8-14,16-17H2,(H,27,31)
InChIKeyXVHJZLXRPKFYOD-UHFFFAOYSA-N
XLogP3.67
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide (CID 68751422) is N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide is O=C(Nc1ccc(C2=CCN(C(=O)C3CCOCC3)CC2)nc1)N1Cc2ccccc2C1.
What is the InChIKey of N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is XVHJZLXRPKFYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c30-24(19-9-13-32-14-10-19)28-11-7-18(8-12-28)23-6-5-22(15-26-23)27-25(31)29-16-20-3-1-2-4-21(20)17-29/h1-7,15,19H,8-14,16-17H2,(H,27,31).
What are the key properties of N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(oxane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 68751422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).