N-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine

C21H28N4O — CID 134072630

IUPACN-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine
SMILESCc1cccc(CN2CCCC3(CC(CNc4ccncc4)CO3)C2)n1
InChIInChI=1S/C21H28N4O/c1-17-4-2-5-20(24-17)14-25-11-3-8-21(16-25)12-18(15-26-21)13-23-19-6-9-22-10-7-19/h2,4-7,9-10,18H,3,8,11-16H2,1H3,(H,22,23)
InChIKeyWHEBCCLWWGKWTC-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.27
Rot. Bonds5

About N-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine

N-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine (PubChem CID 134072630) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine
PubChem CID134072630
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine
SMILESCc1cccc(CN2CCCC3(CC(CNc4ccncc4)CO3)C2)n1
InChIInChI=1S/C21H28N4O/c1-17-4-2-5-20(24-17)14-25-11-3-8-21(16-25)12-18(15-26-21)13-23-19-6-9-22-10-7-19/h2,4-7,9-10,18H,3,8,11-16H2,1H3,(H,22,23)
InChIKeyWHEBCCLWWGKWTC-UHFFFAOYSA-N
XLogP3.27
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine with MolForge

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Related Compounds

(3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 98778570
(3S,5S)-7-[(6-methyl-2-pyridinyl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 98778571
3-(cyclopropylmethoxy)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 134076676
(3S,5R)-7-[(6-methyl-2-pyridinyl)methyl]-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124520594
(3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98777975
9-(pyridin-2-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 134072573
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 115873962
(6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396498
2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 97393864
3-fluoro-N-[[7-(pyridin-4-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]aniline
CID 131661264
(3S,4S)-4-methyl-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 163310131
2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
CID 97492474

Frequently Asked Questions

What is the IUPAC name of N-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine?
The IUPAC name of N-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine (CID 134072630) is N-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine.
What is the SMILES notation for N-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine?
The canonical SMILES for N-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine is Cc1cccc(CN2CCCC3(CC(CNc4ccncc4)CO3)C2)n1.
What is the InChIKey of N-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine?
The InChIKey is WHEBCCLWWGKWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-17-4-2-5-20(24-17)14-25-11-3-8-21(16-25)12-18(15-26-21)13-23-19-6-9-22-10-7-19/h2,4-7,9-10,18H,3,8,11-16H2,1H3,(H,22,23).
What are the key properties of N-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine?
N-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine has a molecular weight of 352.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]pyridin-4-amine is sourced from PubChem (CID 134072630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).