N-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C29H37N5O2 — CID 118621306

IUPACN-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCN1CCC(c2ccc(C(=O)N3CCC4(CC3)CC4CNC(=O)N3Cc4ccncc4C3)cc2)CC1
InChIInChI=1S/C29H37N5O2/c1-32-12-7-22(8-13-32)21-2-4-23(5-3-21)27(35)33-14-9-29(10-15-33)16-26(29)18-31-28(36)34-19-24-6-11-30-17-25(24)20-34/h2-6,11,17,22,26H,7-10,12-16,18-20H2,1H3,(H,31,36)
InChIKeyNYQBMXCFNZAXOA-UHFFFAOYSA-N
MW487.65 g/mol
LogP3.86
Rot. Bonds4

About N-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 118621306) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID118621306
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC NameN-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCN1CCC(c2ccc(C(=O)N3CCC4(CC3)CC4CNC(=O)N3Cc4ccncc4C3)cc2)CC1
InChIInChI=1S/C29H37N5O2/c1-32-12-7-22(8-13-32)21-2-4-23(5-3-21)27(35)33-14-9-29(10-15-33)16-26(29)18-31-28(36)34-19-24-6-11-30-17-25(24)20-34/h2-6,11,17,22,26H,7-10,12-16,18-20H2,1H3,(H,31,36)
InChIKeyNYQBMXCFNZAXOA-UHFFFAOYSA-N
XLogP3.86
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 118621306) is N-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is CN1CCC(c2ccc(C(=O)N3CCC4(CC3)CC4CNC(=O)N3Cc4ccncc4C3)cc2)CC1.
What is the InChIKey of N-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is NYQBMXCFNZAXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-32-12-7-22(8-13-32)21-2-4-23(5-3-21)27(35)33-14-9-29(10-15-33)16-26(29)18-31-28(36)34-19-24-6-11-30-17-25(24)20-34/h2-6,11,17,22,26H,7-10,12-16,18-20H2,1H3,(H,31,36).
What are the key properties of N-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 487.65 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 118621306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).