1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one

C21H26N4O — CID 162628202

IUPAC1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
SMILESNc1ncccc1CN1CCCC12CCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C21H26N4O/c22-19-18(9-4-12-23-19)16-25-14-6-11-21(25)10-5-13-24(20(21)26)15-17-7-2-1-3-8-17/h1-4,7-9,12H,5-6,10-11,13-16H2,(H2,22,23)
InChIKeyVVCJBRHRRXWTFC-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.82
Rot. Bonds4

About 1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one

1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162628202) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162628202
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
SMILESNc1ncccc1CN1CCCC12CCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C21H26N4O/c22-19-18(9-4-12-23-19)16-25-14-6-11-21(25)10-5-13-24(20(21)26)15-17-7-2-1-3-8-17/h1-4,7-9,12H,5-6,10-11,13-16H2,(H2,22,23)
InChIKeyVVCJBRHRRXWTFC-UHFFFAOYSA-N
XLogP2.82
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162630144
9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970
1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634689
1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626574
9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163319449
9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317627
1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625681
1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634959
4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile
CID 162626493
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111
(5S)-2-[(2-amino-3-pyridinyl)methyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97141834

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one (CID 162628202) is 1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one is Nc1ncccc1CN1CCCC12CCCN(Cc1ccccc1)C2=O.
What is the InChIKey of 1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is VVCJBRHRRXWTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c22-19-18(9-4-12-23-19)16-25-14-6-11-21(25)10-5-13-24(20(21)26)15-17-7-2-1-3-8-17/h1-4,7-9,12H,5-6,10-11,13-16H2,(H2,22,23).
What are the key properties of 1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one?
1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 350.47 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162628202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).