N-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C16H25N5O4 — CID 131661616

IUPACN-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCOCCNC(=O)C1COC2(CN(c3cc(OC)ncn3)C2)CN1C
InChIInChI=1S/C16H25N5O4/c1-20-8-16(25-7-12(20)15(22)17-4-5-23-2)9-21(10-16)13-6-14(24-3)19-11-18-13/h6,11-12H,4-5,7-10H2,1-3H3,(H,17,22)
InChIKeyPWZZLYHCNMRLJR-UHFFFAOYSA-N
MW351.41 g/mol
LogP-0.86
Rot. Bonds6

About N-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

N-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 131661616) has the molecular formula C16H25N5O4 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID131661616
Molecular FormulaC16H25N5O4
Molecular Weight351.41 g/mol
Exact Mass351.19
IUPAC NameN-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCOCCNC(=O)C1COC2(CN(c3cc(OC)ncn3)C2)CN1C
InChIInChI=1S/C16H25N5O4/c1-20-8-16(25-7-12(20)15(22)17-4-5-23-2)9-21(10-16)13-6-14(24-3)19-11-18-13/h6,11-12H,4-5,7-10H2,1-3H3,(H,17,22)
InChIKeyPWZZLYHCNMRLJR-UHFFFAOYSA-N
XLogP-0.86
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97422154
N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693226
(3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 124789223
N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124816744
N-(2-methoxyethyl)-8-methyl-2-(3-methylbutanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155864199
N-(2-methoxyethyl)-8-methyl-2-pentanoyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155866411
8-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821075
N-[2-[(8S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 124811327
N-[2-[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 131648875
2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide
CID 97418823
2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66320112
7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134079617

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 131661616) is N-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is COCCNC(=O)C1COC2(CN(c3cc(OC)ncn3)C2)CN1C.
What is the InChIKey of N-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is PWZZLYHCNMRLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4/c1-20-8-16(25-7-12(20)15(22)17-4-5-23-2)9-21(10-16)13-6-14(24-3)19-11-18-13/h6,11-12H,4-5,7-10H2,1-3H3,(H,17,22).
What are the key properties of N-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
N-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 351.41 g/mol, XLogP of -0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 131661616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).