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

C24H26N4O3 — CID 68751275

IUPACN-[6-[1-(oxolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(Nc1ccc(C2=CCN(C(=O)C3CCOC3)CC2)nc1)N1Cc2ccccc2C1
InChIInChI=1S/C24H26N4O3/c29-23(20-9-12-31-16-20)27-10-7-17(8-11-27)22-6-5-21(13-25-22)26-24(30)28-14-18-3-1-2-4-19(18)15-28/h1-7,13,20H,8-12,14-16H2,(H,26,30)
InChIKeyHHPRRQXGFCTLMH-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.28
Rot. Bonds3

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

N-[6-[1-(oxolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 68751275) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[6-[1-(oxolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[1-(oxolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID68751275
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[6-[1-(oxolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(Nc1ccc(C2=CCN(C(=O)C3CCOC3)CC2)nc1)N1Cc2ccccc2C1
InChIInChI=1S/C24H26N4O3/c29-23(20-9-12-31-16-20)27-10-7-17(8-11-27)22-6-5-21(13-25-22)26-24(30)28-14-18-3-1-2-4-19(18)15-28/h1-7,13,20H,8-12,14-16H2,(H,26,30)
InChIKeyHHPRRQXGFCTLMH-UHFFFAOYSA-N
XLogP3.28
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(oxolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[6-[1-(oxolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide (CID 68751275) is N-[6-[1-(oxolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[6-[1-(oxolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[6-[1-(oxolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide is O=C(Nc1ccc(C2=CCN(C(=O)C3CCOC3)CC2)nc1)N1Cc2ccccc2C1.
What is the InChIKey of N-[6-[1-(oxolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is HHPRRQXGFCTLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-23(20-9-12-31-16-20)27-10-7-17(8-11-27)22-6-5-21(13-25-22)26-24(30)28-14-18-3-1-2-4-19(18)15-28/h1-7,13,20H,8-12,14-16H2,(H,26,30).
What are the key properties of N-[6-[1-(oxolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
N-[6-[1-(oxolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(oxolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 68751275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).