N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C26H30N4O3 — CID 130290730

IUPACN-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCCc1cccc(CNC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)c1
InChIInChI=1S/C26H30N4O3/c1-2-18-4-3-5-19(12-18)15-29-25(32)30-10-7-26(8-11-30)14-21(26)16-28-24(31)22-13-20-6-9-27-17-23(20)33-22/h3-6,9,12-13,17,21H,2,7-8,10-11,14-16H2,1H3,(H,28,31)(H,29,32)
InChIKeyYJZAINFFYVXNQQ-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.13
Rot. Bonds6

About N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 130290730) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID130290730
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCCc1cccc(CNC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)c1
InChIInChI=1S/C26H30N4O3/c1-2-18-4-3-5-19(12-18)15-29-25(32)30-10-7-26(8-11-30)14-21(26)16-28-24(31)22-13-20-6-9-27-17-23(20)33-22/h3-6,9,12-13,17,21H,2,7-8,10-11,14-16H2,1H3,(H,28,31)(H,29,32)
InChIKeyYJZAINFFYVXNQQ-UHFFFAOYSA-N
XLogP4.13
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 130290730) is N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is CCc1cccc(CNC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)c1.
What is the InChIKey of N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is YJZAINFFYVXNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-2-18-4-3-5-19(12-18)15-29-25(32)30-10-7-26(8-11-30)14-21(26)16-28-24(31)22-13-20-6-9-27-17-23(20)33-22/h3-6,9,12-13,17,21H,2,7-8,10-11,14-16H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 130290730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).