N-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C23H29N5O4 — CID 71715752

IUPACN-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)N1CCCC(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)C1
InChIInChI=1S/C23H29N5O4/c24-22(31)28-7-1-2-16(14-28)21(30)27-8-4-23(5-9-27)11-17(23)12-26-20(29)18-10-15-3-6-25-13-19(15)32-18/h3,6,10,13,16-17H,1-2,4-5,7-9,11-12,14H2,(H2,24,31)(H,26,29)
InChIKeyKMXCMTDCVHRMQN-UHFFFAOYSA-N
MW439.52 g/mol
LogP1.98
Rot. Bonds4

About N-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715752) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715752
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC NameN-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)N1CCCC(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)C1
InChIInChI=1S/C23H29N5O4/c24-22(31)28-7-1-2-16(14-28)21(30)27-8-4-23(5-9-27)11-17(23)12-26-20(29)18-10-15-3-6-25-13-19(15)32-18/h3,6,10,13,16-17H,1-2,4-5,7-9,11-12,14H2,(H2,24,31)(H,26,29)
InChIKeyKMXCMTDCVHRMQN-UHFFFAOYSA-N
XLogP1.98
TPSA121.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715752) is N-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is NC(=O)N1CCCC(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)C1.
What is the InChIKey of N-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is KMXCMTDCVHRMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c24-22(31)28-7-1-2-16(14-28)21(30)27-8-4-23(5-9-27)11-17(23)12-26-20(29)18-10-15-3-6-25-13-19(15)32-18/h3,6,10,13,16-17H,1-2,4-5,7-9,11-12,14H2,(H2,24,31)(H,26,29).
What are the key properties of N-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-carbamoylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).