(6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H26N4O3 — CID 97153801

IUPAC(6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1ccc(C(=O)N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)c(=O)n1C
InChIInChI=1S/C18H26N4O3/c1-13-4-5-14(16(24)21(13)3)17(25)22-11-10-20(2)18(12-22)7-6-15(23)19-9-8-18/h4-5H,6-12H2,1-3H3,(H,19,23)/t18-/m0/s1
InChIKeyZFLIJWGGEQHVPH-SFHVURJKSA-N
MW346.43 g/mol
LogP0.12
Rot. Bonds1

About (6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97153801) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97153801
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1ccc(C(=O)N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)c(=O)n1C
InChIInChI=1S/C18H26N4O3/c1-13-4-5-14(16(24)21(13)3)17(25)22-11-10-20(2)18(12-22)7-6-15(23)19-9-8-18/h4-5H,6-12H2,1-3H3,(H,19,23)/t18-/m0/s1
InChIKeyZFLIJWGGEQHVPH-SFHVURJKSA-N
XLogP0.12
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
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(6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
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4-(3-fluoro-4-methoxybenzoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
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(6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
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1-methyl-4-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
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(6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97119506
(6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97136481
1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
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(6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
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Frequently Asked Questions

What is the IUPAC name of (6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97153801) is (6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1ccc(C(=O)N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)c(=O)n1C.
What is the InChIKey of (6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is ZFLIJWGGEQHVPH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-4-5-14(16(24)21(13)3)17(25)22-11-10-20(2)18(12-22)7-6-15(23)19-9-8-18/h4-5H,6-12H2,1-3H3,(H,19,23)/t18-/m0/s1.
What are the key properties of (6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 346.43 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97153801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).