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

C22H20N4O2 — CID 16720316

IUPACN-cyclopropyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C22H20N4O2/c27-21(25-16-5-6-16)14-3-1-13(2-4-14)19-11-15(7-9-23-19)20-12-17-18(26-20)8-10-24-22(17)28/h1-4,7,9,11-12,16,26H,5-6,8,10H2,(H,24,28)(H,25,27)
InChIKeyDBTKHUDMVFSPSD-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.92
Rot. Bonds4

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

N-cyclopropyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide (PubChem CID 16720316) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide
PubChem CID16720316
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-cyclopropyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C22H20N4O2/c27-21(25-16-5-6-16)14-3-1-13(2-4-14)19-11-15(7-9-23-19)20-12-17-18(26-20)8-10-24-22(17)28/h1-4,7,9,11-12,16,26H,5-6,8,10H2,(H,24,28)(H,25,27)
InChIKeyDBTKHUDMVFSPSD-UHFFFAOYSA-N
XLogP2.92
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide (CID 16720316) is N-cyclopropyl-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-cyclopropyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide is O=C(NC1CC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1.
What is the InChIKey of N-cyclopropyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
The InChIKey is DBTKHUDMVFSPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21(25-16-5-6-16)14-3-1-13(2-4-14)19-11-15(7-9-23-19)20-12-17-18(26-20)8-10-24-22(17)28/h1-4,7,9,11-12,16,26H,5-6,8,10H2,(H,24,28)(H,25,27).
What are the key properties of N-cyclopropyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
N-cyclopropyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide has a molecular weight of 372.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 16720316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).