(4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one

C19H28N4O3 — CID 131688215

IUPAC(4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one
SMILESCCc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@]3(COCC(=O)N(C)C3)C2)cn1
InChIInChI=1S/C19H28N4O3/c1-5-15-7-6-14(8-20-15)18(25)23-9-16(21(2)3)19(12-23)11-22(4)17(24)10-26-13-19/h6-8,16H,5,9-13H2,1-4H3/t16-,19-/m1/s1
InChIKeyQNHPINHLFPJRTE-VQIMIIECSA-N
MW360.46 g/mol
LogP0.50
Rot. Bonds3

About (4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one

(4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one (PubChem CID 131688215) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is (4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one.

Molecular Properties

Compound Name(4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one
PubChem CID131688215
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name(4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one
SMILESCCc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@]3(COCC(=O)N(C)C3)C2)cn1
InChIInChI=1S/C19H28N4O3/c1-5-15-7-6-14(8-20-15)18(25)23-9-16(21(2)3)19(12-23)11-22(4)17(24)10-26-13-19/h6-8,16H,5,9-13H2,1-4H3/t16-,19-/m1/s1
InChIKeyQNHPINHLFPJRTE-VQIMIIECSA-N
XLogP0.50
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one?
The IUPAC name of (4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one (CID 131688215) is (4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one.
What is the SMILES notation for (4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one?
The canonical SMILES for (4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one is CCc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@]3(COCC(=O)N(C)C3)C2)cn1.
What is the InChIKey of (4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one?
The InChIKey is QNHPINHLFPJRTE-VQIMIIECSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-5-15-7-6-14(8-20-15)18(25)23-9-16(21(2)3)19(12-23)11-22(4)17(24)10-26-13-19/h6-8,16H,5,9-13H2,1-4H3/t16-,19-/m1/s1.
What are the key properties of (4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one?
(4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one has a molecular weight of 360.46 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one is sourced from PubChem (CID 131688215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).