(3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine

C18H23N5O — CID 124520594

IUPAC(3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESCc1cccc(CN2CC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)n1
InChIInChI=1S/C18H23N5O/c1-14-3-2-4-15(21-14)11-23-8-5-18(13-23)9-16(12-24-18)22-17-10-19-6-7-20-17/h2-4,6-7,10,16H,5,8-9,11-13H2,1H3,(H,20,22)/t16-,18+/m0/s1
InChIKeyUTAPSYLGSZWIEN-FUHWJXTLSA-N
MW325.42 g/mol
LogP2.03
Rot. Bonds4

About (3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine

(3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine (PubChem CID 124520594) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine.

Molecular Properties

Compound Name(3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
PubChem CID124520594
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESCc1cccc(CN2CC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)n1
InChIInChI=1S/C18H23N5O/c1-14-3-2-4-15(21-14)11-23-8-5-18(13-23)9-16(12-24-18)22-17-10-19-6-7-20-17/h2-4,6-7,10,16H,5,8-9,11-13H2,1H3,(H,20,22)/t16-,18+/m0/s1
InChIKeyUTAPSYLGSZWIEN-FUHWJXTLSA-N
XLogP2.03
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98777975
(3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98813283
(3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 124520719
9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 134071325
(3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778012
(3R,5S)-7-(5-ethylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818265
3-(cyclopropylmethoxy)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 134076676
7-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134076709
N-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine
CID 134072630
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine
CID 39796668
(3S,5R)-9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 124521928
(6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396498

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The IUPAC name of (3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine (CID 124520594) is (3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine.
What is the SMILES notation for (3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The canonical SMILES for (3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine is Cc1cccc(CN2CC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)n1.
What is the InChIKey of (3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The InChIKey is UTAPSYLGSZWIEN-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H23N5O/c1-14-3-2-4-15(21-14)11-23-8-5-18(13-23)9-16(12-24-18)22-17-10-19-6-7-20-17/h2-4,6-7,10,16H,5,8-9,11-13H2,1H3,(H,20,22)/t16-,18+/m0/s1.
What are the key properties of (3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
(3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine has a molecular weight of 325.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine is sourced from PubChem (CID 124520594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).