N-benzyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide

C26H22N4O2 — CID 10007353

IUPACN-benzyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C26H22N4O2/c31-25(29-16-17-4-2-1-3-5-17)19-8-6-18(7-9-19)23-14-20(10-12-27-23)24-15-21-22(30-24)11-13-28-26(21)32/h1-10,12,14-15,30H,11,13,16H2,(H,28,32)(H,29,31)
InChIKeyBUYKQYWJELIXQN-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.96
Rot. Bonds5

About N-benzyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide

N-benzyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide (PubChem CID 10007353) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-benzyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide
PubChem CID10007353
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-benzyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C26H22N4O2/c31-25(29-16-17-4-2-1-3-5-17)19-8-6-18(7-9-19)23-14-20(10-12-27-23)24-15-21-22(30-24)11-13-28-26(21)32/h1-10,12,14-15,30H,11,13,16H2,(H,28,32)(H,29,31)
InChIKeyBUYKQYWJELIXQN-UHFFFAOYSA-N
XLogP3.96
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
The IUPAC name of N-benzyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide (CID 10007353) is N-benzyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-benzyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
The canonical SMILES for N-benzyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide is O=C(NCc1ccccc1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1.
What is the InChIKey of N-benzyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
The InChIKey is BUYKQYWJELIXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c31-25(29-16-17-4-2-1-3-5-17)19-8-6-18(7-9-19)23-14-20(10-12-27-23)24-15-21-22(30-24)11-13-28-26(21)32/h1-10,12,14-15,30H,11,13,16H2,(H,28,32)(H,29,31).
What are the key properties of N-benzyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
N-benzyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide has a molecular weight of 422.49 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 10007353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).