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

C24H24N4O2 — CID 10453611

IUPACN-cyclopentyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide
SMILESO=C(NC1CCCC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C24H24N4O2/c29-23(27-18-3-1-2-4-18)16-7-5-15(6-8-16)21-13-17(9-11-25-21)22-14-19-20(28-22)10-12-26-24(19)30/h5-9,11,13-14,18,28H,1-4,10,12H2,(H,26,30)(H,27,29)
InChIKeyVZGXJTZKPDEJGJ-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.70
Rot. Bonds4

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

N-cyclopentyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide (PubChem CID 10453611) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-cyclopentyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide
PubChem CID10453611
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-cyclopentyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide
SMILESO=C(NC1CCCC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C24H24N4O2/c29-23(27-18-3-1-2-4-18)16-7-5-15(6-8-16)21-13-17(9-11-25-21)22-14-19-20(28-22)10-12-26-24(19)30/h5-9,11,13-14,18,28H,1-4,10,12H2,(H,26,30)(H,27,29)
InChIKeyVZGXJTZKPDEJGJ-UHFFFAOYSA-N
XLogP3.70
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
The IUPAC name of N-cyclopentyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide (CID 10453611) is N-cyclopentyl-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-cyclopentyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide is O=C(NC1CCCC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1.
What is the InChIKey of N-cyclopentyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
The InChIKey is VZGXJTZKPDEJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-23(27-18-3-1-2-4-18)16-7-5-15(6-8-16)21-13-17(9-11-25-21)22-14-19-20(28-22)10-12-26-24(19)30/h5-9,11,13-14,18,28H,1-4,10,12H2,(H,26,30)(H,27,29).
What are the key properties of N-cyclopentyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
N-cyclopentyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 10453611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).