N-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide

C17H27N5O — CID 154737014

IUPACN-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCN1CCCC2(CCN(C(=O)Nc3cccc(N(C)C)n3)C2)C1
InChIInChI=1S/C17H27N5O/c1-20(2)15-7-4-6-14(18-15)19-16(23)22-11-9-17(13-22)8-5-10-21(3)12-17/h4,6-7H,5,8-13H2,1-3H3,(H,18,19,23)
InChIKeyAWYUZPNBFQZYIF-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.10
Rot. Bonds2

About N-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide

N-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 154737014) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID154737014
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCN1CCCC2(CCN(C(=O)Nc3cccc(N(C)C)n3)C2)C1
InChIInChI=1S/C17H27N5O/c1-20(2)15-7-4-6-14(18-15)19-16(23)22-11-9-17(13-22)8-5-10-21(3)12-17/h4,6-7H,5,8-13H2,1-3H3,(H,18,19,23)
InChIKeyAWYUZPNBFQZYIF-UHFFFAOYSA-N
XLogP2.10
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 154737014) is N-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide is CN1CCCC2(CCN(C(=O)Nc3cccc(N(C)C)n3)C2)C1.
What is the InChIKey of N-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is AWYUZPNBFQZYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-20(2)15-7-4-6-14(18-15)19-16(23)22-11-9-17(13-22)8-5-10-21(3)12-17/h4,6-7H,5,8-13H2,1-3H3,(H,18,19,23).
What are the key properties of N-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
N-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 154737014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).