[4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone

C19H24N6O2 — CID 131951034

IUPAC[4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
SMILESNc1ncccc1CN1CCOC2(CCN(C(=O)c3cnccn3)CC2)C1
InChIInChI=1S/C19H24N6O2/c20-17-15(2-1-5-23-17)13-24-10-11-27-19(14-24)3-8-25(9-4-19)18(26)16-12-21-6-7-22-16/h1-2,5-7,12H,3-4,8-11,13-14H2,(H2,20,23)
InChIKeyPVNWSKQVXMVPOP-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.96
Rot. Bonds3

About [4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone

[4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone (PubChem CID 131951034) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is [4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
PubChem CID131951034
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name[4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
SMILESNc1ncccc1CN1CCOC2(CCN(C(=O)c3cnccn3)CC2)C1
InChIInChI=1S/C19H24N6O2/c20-17-15(2-1-5-23-17)13-24-10-11-27-19(14-24)3-8-25(9-4-19)18(26)16-12-21-6-7-22-16/h1-2,5-7,12H,3-4,8-11,13-14H2,(H2,20,23)
InChIKeyPVNWSKQVXMVPOP-UHFFFAOYSA-N
XLogP0.96
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrazin-2-yl-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450788
pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97372269
1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone
CID 131932995
pyrazin-2-yl-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131662756
(6-methyl-2-pyridinyl)-[4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97372223
[4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone
CID 97372226
1-[(6R)-4-(pyrazine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97415961
[(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 125005681
[9-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155832396
[(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
CID 97492101
[2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-pyrazin-2-ylmethanone
CID 3233419
9-(pyrazine-2-carbonyl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451112

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone (CID 131951034) is [4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone is Nc1ncccc1CN1CCOC2(CCN(C(=O)c3cnccn3)CC2)C1.
What is the InChIKey of [4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone?
The InChIKey is PVNWSKQVXMVPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c20-17-15(2-1-5-23-17)13-24-10-11-27-19(14-24)3-8-25(9-4-19)18(26)16-12-21-6-7-22-16/h1-2,5-7,12H,3-4,8-11,13-14H2,(H2,20,23).
What are the key properties of [4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone?
[4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone has a molecular weight of 368.44 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 131951034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).