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

C27H24N4O2 — CID 16720542

IUPACN-benzyl-N-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C27H24N4O2/c1-31(17-18-5-3-2-4-6-18)27(33)20-9-7-19(8-10-20)24-15-21(11-13-28-24)25-16-22-23(30-25)12-14-29-26(22)32/h2-11,13,15-16,30H,12,14,17H2,1H3,(H,29,32)
InChIKeyUXRPOGJSOJZMFZ-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.30
Rot. Bonds5

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

N-benzyl-N-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide (PubChem CID 16720542) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide
PubChem CID16720542
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC NameN-benzyl-N-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C27H24N4O2/c1-31(17-18-5-3-2-4-6-18)27(33)20-9-7-19(8-10-20)24-15-21(11-13-28-24)25-16-22-23(30-25)12-14-29-26(22)32/h2-11,13,15-16,30H,12,14,17H2,1H3,(H,29,32)
InChIKeyUXRPOGJSOJZMFZ-UHFFFAOYSA-N
XLogP4.30
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
The IUPAC name of N-benzyl-N-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide (CID 16720542) is N-benzyl-N-methyl-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-N-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
The canonical SMILES for N-benzyl-N-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide is CN(Cc1ccccc1)C(=O)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1.
What is the InChIKey of N-benzyl-N-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
The InChIKey is UXRPOGJSOJZMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-31(17-18-5-3-2-4-6-18)27(33)20-9-7-19(8-10-20)24-15-21(11-13-28-24)25-16-22-23(30-25)12-14-29-26(22)32/h2-11,13,15-16,30H,12,14,17H2,1H3,(H,29,32).
What are the key properties of N-benzyl-N-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
N-benzyl-N-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide has a molecular weight of 436.52 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 16720542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).