N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide

C28H27N5O2 — CID 56835140

IUPACN-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide
SMILESCN1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(NC(=O)c4ccc5ccccc5c4)c3)[nH]c12
InChIInChI=1S/C28H27N5O2/c1-33-12-9-28(10-13-33)17-30-27(35)22-16-23(31-25(22)28)20-8-11-29-24(15-20)32-26(34)21-7-6-18-4-2-3-5-19(18)14-21/h2-8,11,14-16,31H,9-10,12-13,17H2,1H3,(H,30,35)(H,29,32,34)
InChIKeyDOLWWDXSZGJMTH-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.19
Rot. Bonds3

About N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide

N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide (PubChem CID 56835140) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide
PubChem CID56835140
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC NameN-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide
SMILESCN1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(NC(=O)c4ccc5ccccc5c4)c3)[nH]c12
InChIInChI=1S/C28H27N5O2/c1-33-12-9-28(10-13-33)17-30-27(35)22-16-23(31-25(22)28)20-8-11-29-24(15-20)32-26(34)21-7-6-18-4-2-3-5-19(18)14-21/h2-8,11,14-16,31H,9-10,12-13,17H2,1H3,(H,30,35)(H,29,32,34)
InChIKeyDOLWWDXSZGJMTH-UHFFFAOYSA-N
XLogP4.19
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide (CID 56835140) is N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide is CN1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(NC(=O)c4ccc5ccccc5c4)c3)[nH]c12.
What is the InChIKey of N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide?
The InChIKey is DOLWWDXSZGJMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-33-12-9-28(10-13-33)17-30-27(35)22-16-23(31-25(22)28)20-8-11-29-24(15-20)32-26(34)21-7-6-18-4-2-3-5-19(18)14-21/h2-8,11,14-16,31H,9-10,12-13,17H2,1H3,(H,30,35)(H,29,32,34).
What are the key properties of N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide?
N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 4.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide is sourced from PubChem (CID 56835140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).