N-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide

C26H24N4O2 — CID 68752611

IUPACN-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(Nc1ccc(C2=CCN(C(=O)c3ccccc3)CC2)cn1)N1Cc2ccccc2C1
InChIInChI=1S/C26H24N4O2/c31-25(20-6-2-1-3-7-20)29-14-12-19(13-15-29)21-10-11-24(27-16-21)28-26(32)30-17-22-8-4-5-9-23(22)18-30/h1-12,16H,13-15,17-18H2,(H,27,28,32)
InChIKeyCGCJYFXQRYMLFY-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.56
Rot. Bonds3

About N-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide

N-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 68752611) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID68752611
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(Nc1ccc(C2=CCN(C(=O)c3ccccc3)CC2)cn1)N1Cc2ccccc2C1
InChIInChI=1S/C26H24N4O2/c31-25(20-6-2-1-3-7-20)29-14-12-19(13-15-29)21-10-11-24(27-16-21)28-26(32)30-17-22-8-4-5-9-23(22)18-30/h1-12,16H,13-15,17-18H2,(H,27,28,32)
InChIKeyCGCJYFXQRYMLFY-UHFFFAOYSA-N
XLogP4.56
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide with MolForge

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Diarylurea deriv. 15
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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide (CID 68752611) is N-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide is O=C(Nc1ccc(C2=CCN(C(=O)c3ccccc3)CC2)cn1)N1Cc2ccccc2C1.
What is the InChIKey of N-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is CGCJYFXQRYMLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-25(20-6-2-1-3-7-20)29-14-12-19(13-15-29)21-10-11-24(27-16-21)28-26(32)30-17-22-8-4-5-9-23(22)18-30/h1-12,16H,13-15,17-18H2,(H,27,28,32).
What are the key properties of N-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
N-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 68752611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).