2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide

C18H27N3O2 — CID 164690007

IUPAC2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCO[C@@H]1CCC[C@]12CCCN(c1ncccc1C(=O)N(C)C)C2
InChIInChI=1S/C18H27N3O2/c1-20(2)17(22)14-7-5-11-19-16(14)21-12-6-10-18(13-21)9-4-8-15(18)23-3/h5,7,11,15H,4,6,8-10,12-13H2,1-3H3/t15-,18-/m1/s1
InChIKeyBQEWEDQNFJVRAZ-CRAIPNDOSA-N
MW317.43 g/mol
LogP2.57
Rot. Bonds3

About 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide

2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 164690007) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID164690007
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCO[C@@H]1CCC[C@]12CCCN(c1ncccc1C(=O)N(C)C)C2
InChIInChI=1S/C18H27N3O2/c1-20(2)17(22)14-7-5-11-19-16(14)21-12-6-10-18(13-21)9-4-8-15(18)23-3/h5,7,11,15H,4,6,8-10,12-13H2,1-3H3/t15-,18-/m1/s1
InChIKeyBQEWEDQNFJVRAZ-CRAIPNDOSA-N
XLogP2.57
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide (CID 164690007) is 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide is CO[C@@H]1CCC[C@]12CCCN(c1ncccc1C(=O)N(C)C)C2.
What is the InChIKey of 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is BQEWEDQNFJVRAZ-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-20(2)17(22)14-7-5-11-19-16(14)21-12-6-10-18(13-21)9-4-8-15(18)23-3/h5,7,11,15H,4,6,8-10,12-13H2,1-3H3/t15-,18-/m1/s1.
What are the key properties of 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide?
2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 164690007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).