6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one

C18H24N4O2 — CID 131640790

IUPAC6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCc1ccc(C(=O)N2CCC3(CNC(=O)CN3CC3CC3)C2)cn1
InChIInChI=1S/C18H24N4O2/c1-13-2-5-15(8-19-13)17(24)21-7-6-18(12-21)11-20-16(23)10-22(18)9-14-3-4-14/h2,5,8,14H,3-4,6-7,9-12H2,1H3,(H,20,23)
InChIKeyVDILKJQZLPIKNG-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.82
Rot. Bonds3

About 6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one

6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131640790) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID131640790
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCc1ccc(C(=O)N2CCC3(CNC(=O)CN3CC3CC3)C2)cn1
InChIInChI=1S/C18H24N4O2/c1-13-2-5-15(8-19-13)17(24)21-7-6-18(12-21)11-20-16(23)10-22(18)9-14-3-4-14/h2,5,8,14H,3-4,6-7,9-12H2,1H3,(H,20,23)
InChIKeyVDILKJQZLPIKNG-UHFFFAOYSA-N
XLogP0.82
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methylpyridine-3-carbonyl)-1,4-diazepan-2-one
CID 62896067
1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 134689506
3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142818
8-(6-methylpyridine-3-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070712
[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone
CID 134072768
(6R)-10-(cyclopropylmethyl)-1-methyl-4-(pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97121140
(6S)-1-methyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495342
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
(6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495441
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone
CID 131639800
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
[1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
CID 134070362

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 131640790) is 6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one is Cc1ccc(C(=O)N2CCC3(CNC(=O)CN3CC3CC3)C2)cn1.
What is the InChIKey of 6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is VDILKJQZLPIKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-2-5-15(8-19-13)17(24)21-7-6-18(12-21)11-20-16(23)10-22(18)9-14-3-4-14/h2,5,8,14H,3-4,6-7,9-12H2,1H3,(H,20,23).
What are the key properties of 6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?
6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 328.42 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-2-(6-methylpyridine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131640790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).