N-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C23H24N4O3 — CID 90012576

IUPACN-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ccncc1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1
InChIInChI=1S/C23H24N4O3/c1-15-2-6-24-13-18(15)22(29)27-8-4-23(5-9-27)11-17(23)12-26-21(28)19-10-16-3-7-25-14-20(16)30-19/h2-3,6-7,10,13-14,17H,4-5,8-9,11-12H2,1H3,(H,26,28)
InChIKeyIJDUJIUIKAMXLU-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.20
Rot. Bonds4

About N-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012576) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90012576
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ccncc1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1
InChIInChI=1S/C23H24N4O3/c1-15-2-6-24-13-18(15)22(29)27-8-4-23(5-9-27)11-17(23)12-26-21(28)19-10-16-3-7-25-14-20(16)30-19/h2-3,6-7,10,13-14,17H,4-5,8-9,11-12H2,1H3,(H,26,28)
InChIKeyIJDUJIUIKAMXLU-UHFFFAOYSA-N
XLogP3.20
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012576) is N-[[6-(4-methylpyridine-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-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is Cc1ccncc1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is IJDUJIUIKAMXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-2-6-24-13-18(15)22(29)27-8-4-23(5-9-27)11-17(23)12-26-21(28)19-10-16-3-7-25-14-20(16)30-19/h2-3,6-7,10,13-14,17H,4-5,8-9,11-12H2,1H3,(H,26,28).
What are the key properties of N-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).