(4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

C17H25N5O3 — CID 164640929

IUPAC(4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCN(C)c1cc(NC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)ccn1
InChIInChI=1S/C17H25N5O3/c1-21(2)14-9-12(3-6-18-14)20-16(25)22-7-4-17(5-8-22)10-13(23)11-19-15(17)24/h3,6,9,13,23H,4-5,7-8,10-11H2,1-2H3,(H,19,24)(H,18,20,25)/t13-/m0/s1
InChIKeyGCJNPDNDUFNQHS-ZDUSSCGKSA-N
MW347.42 g/mol
LogP0.64
Rot. Bonds2

About (4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

(4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 164640929) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name(4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID164640929
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCN(C)c1cc(NC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)ccn1
InChIInChI=1S/C17H25N5O3/c1-21(2)14-9-12(3-6-18-14)20-16(25)22-7-4-17(5-8-22)10-13(23)11-19-15(17)24/h3,6,9,13,23H,4-5,7-8,10-11H2,1-2H3,(H,19,24)(H,18,20,25)/t13-/m0/s1
InChIKeyGCJNPDNDUFNQHS-ZDUSSCGKSA-N
XLogP0.64
TPSA97.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide with MolForge

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Related Compounds

4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 154849837
(2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide
CID 129343177
4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 170509540
1-[(2-methoxy-4-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122093310
3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 155900887
4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 171689724
3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 59688393
N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 72940231
1-amino-N-[2-(dimethylamino)-4-pyridinyl]-4-methoxy-2,3-dihydroindene-1-carboxamide
CID 154772629
2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 97472874
N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 69092727
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of (4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide (CID 164640929) is (4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for (4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for (4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide is CN(C)c1cc(NC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)ccn1.
What is the InChIKey of (4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is GCJNPDNDUFNQHS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-21(2)14-9-12(3-6-18-14)20-16(25)22-7-4-17(5-8-22)10-13(23)11-19-15(17)24/h3,6,9,13,23H,4-5,7-8,10-11H2,1-2H3,(H,19,24)(H,18,20,25)/t13-/m0/s1.
What are the key properties of (4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
(4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-(dimethylamino)-4-pyridinyl]-4-hydroxy-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 164640929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).