(5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide

C15H20N4O2 — CID 125242336

IUPAC(5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2cccnc2)C[C@]12CCNC2=O
InChIInChI=1S/C15H20N4O2/c1-11-9-19(10-15(11)4-6-17-13(15)20)14(21)18-8-12-3-2-5-16-7-12/h2-3,5,7,11H,4,6,8-10H2,1H3,(H,17,20)(H,18,21)/t11-,15-/m1/s1
InChIKeyQKYUQEKEFMQGGL-IAQYHMDHSA-N
MW288.35 g/mol
LogP0.75
Rot. Bonds2

About (5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide

(5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide (PubChem CID 125242336) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide
PubChem CID125242336
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2cccnc2)C[C@]12CCNC2=O
InChIInChI=1S/C15H20N4O2/c1-11-9-19(10-15(11)4-6-17-13(15)20)14(21)18-8-12-3-2-5-16-7-12/h2-3,5,7,11H,4,6,8-10H2,1H3,(H,17,20)(H,18,21)/t11-,15-/m1/s1
InChIKeyQKYUQEKEFMQGGL-IAQYHMDHSA-N
XLogP0.75
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide with MolForge

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Related Compounds

3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166233761
2-[1-(pyridin-3-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619006
(5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 155873632
(1S,5S)-8-propan-2-yl-N-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
CID 98255743
2-[1-(pyridin-3-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691175
(2R,3S)-N-(pyridin-3-ylmethyl)-2-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-5-carboxamide
CID 97396668
(5S,9S)-7-[2-(1-hydroxycyclobutyl)acetyl]-9-methyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131687799
3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 156608806
4-[4-(4-methylpiperidin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108615
4-methylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47125297
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617
4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 23381452

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide (CID 125242336) is (5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide is C[C@@H]1CN(C(=O)NCc2cccnc2)C[C@]12CCNC2=O.
What is the InChIKey of (5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is QKYUQEKEFMQGGL-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-9-19(10-15(11)4-6-17-13(15)20)14(21)18-8-12-3-2-5-16-7-12/h2-3,5,7,11H,4,6,8-10H2,1H3,(H,17,20)(H,18,21)/t11-,15-/m1/s1.
What are the key properties of (5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide?
(5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 125242336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).