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

C25H26N4O2 — CID 16720318

IUPACN-cyclohexyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide
SMILESO=C(NC1CCCCC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C25H26N4O2/c30-24(28-19-4-2-1-3-5-19)17-8-6-16(7-9-17)22-14-18(10-12-26-22)23-15-20-21(29-23)11-13-27-25(20)31/h6-10,12,14-15,19,29H,1-5,11,13H2,(H,27,31)(H,28,30)
InChIKeyZJYOMQSNBGAQNB-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.09
Rot. Bonds4

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

N-cyclohexyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide (PubChem CID 16720318) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide
PubChem CID16720318
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-cyclohexyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide
SMILESO=C(NC1CCCCC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C25H26N4O2/c30-24(28-19-4-2-1-3-5-19)17-8-6-16(7-9-17)22-14-18(10-12-26-22)23-15-20-21(29-23)11-13-27-25(20)31/h6-10,12,14-15,19,29H,1-5,11,13H2,(H,27,31)(H,28,30)
InChIKeyZJYOMQSNBGAQNB-UHFFFAOYSA-N
XLogP4.09
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
The IUPAC name of N-cyclohexyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide (CID 16720318) is N-cyclohexyl-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-cyclohexyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide is O=C(NC1CCCCC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1.
What is the InChIKey of N-cyclohexyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
The InChIKey is ZJYOMQSNBGAQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-24(28-19-4-2-1-3-5-19)17-8-6-16(7-9-17)22-14-18(10-12-26-22)23-15-20-21(29-23)11-13-27-25(20)31/h6-10,12,14-15,19,29H,1-5,11,13H2,(H,27,31)(H,28,30).
What are the key properties of N-cyclohexyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide?
N-cyclohexyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide has a molecular weight of 414.51 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 16720318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).