N-[4-(3-anilino-5-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylacetamide

C26H24N6O2 — CID 154674306

IUPACN-[4-(3-anilino-5-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylacetamide
SMILESCN1CCc2[nH]c(-c3ccnc(NC(=O)Cc4ccncc4)c3)c(Nc3ccccc3)c2C1=O
InChIInChI=1S/C26H24N6O2/c1-32-14-10-20-23(26(32)34)25(29-19-5-3-2-4-6-19)24(30-20)18-9-13-28-21(16-18)31-22(33)15-17-7-11-27-12-8-17/h2-9,11-13,16,29-30H,10,14-15H2,1H3,(H,28,31,33)
InChIKeyOCJNACKDBJHBPG-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.02
Rot. Bonds6

About N-[4-(3-anilino-5-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylacetamide

N-[4-(3-anilino-5-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylacetamide (PubChem CID 154674306) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[4-(3-anilino-5-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-(3-anilino-5-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylacetamide
PubChem CID154674306
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC NameN-[4-(3-anilino-5-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylacetamide
SMILESCN1CCc2[nH]c(-c3ccnc(NC(=O)Cc4ccncc4)c3)c(Nc3ccccc3)c2C1=O
InChIInChI=1S/C26H24N6O2/c1-32-14-10-20-23(26(32)34)25(29-19-5-3-2-4-6-19)24(30-20)18-9-13-28-21(16-18)31-22(33)15-17-7-11-27-12-8-17/h2-9,11-13,16,29-30H,10,14-15H2,1H3,(H,28,31,33)
InChIKeyOCJNACKDBJHBPG-UHFFFAOYSA-N
XLogP4.02
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-anilino-5-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[4-(3-anilino-5-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylacetamide (CID 154674306) is N-[4-(3-anilino-5-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[4-(3-anilino-5-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[4-(3-anilino-5-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylacetamide is CN1CCc2[nH]c(-c3ccnc(NC(=O)Cc4ccncc4)c3)c(Nc3ccccc3)c2C1=O.
What is the InChIKey of N-[4-(3-anilino-5-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylacetamide?
The InChIKey is OCJNACKDBJHBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-32-14-10-20-23(26(32)34)25(29-19-5-3-2-4-6-19)24(30-20)18-9-13-28-21(16-18)31-22(33)15-17-7-11-27-12-8-17/h2-9,11-13,16,29-30H,10,14-15H2,1H3,(H,28,31,33).
What are the key properties of N-[4-(3-anilino-5-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylacetamide?
N-[4-(3-anilino-5-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylacetamide has a molecular weight of 452.52 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-anilino-5-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 154674306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).