N-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide

C18H25N3O2 — CID 131638837

IUPACN-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCC1CCOC12CN(CC1CC1)C2)c1ccncc1
InChIInChI=1S/C18H25N3O2/c22-17(15-3-7-19-8-4-15)20-9-5-16-6-10-23-18(16)12-21(13-18)11-14-1-2-14/h3-4,7-8,14,16H,1-2,5-6,9-13H2,(H,20,22)
InChIKeyXHMARKBHLLUQLM-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.70
Rot. Bonds6

About N-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide

N-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide (PubChem CID 131638837) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide
PubChem CID131638837
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCC1CCOC12CN(CC1CC1)C2)c1ccncc1
InChIInChI=1S/C18H25N3O2/c22-17(15-3-7-19-8-4-15)20-9-5-16-6-10-23-18(16)12-21(13-18)11-14-1-2-14/h3-4,7-8,14,16H,1-2,5-6,9-13H2,(H,20,22)
InChIKeyXHMARKBHLLUQLM-UHFFFAOYSA-N
XLogP1.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(8R)-2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide
CID 124783021
N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide
CID 124820925
N-[2-(2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]pyridine-4-carboxamide
CID 131691995
N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155836773
N-[2-[2-(1-fluorocyclobutanecarbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155860852
N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide
CID 131671952
N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide
CID 131655434
1-methyl-N-[2-[2-(oxan-4-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155835795
N-[2-[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-3-carboxamide
CID 131692009
N-[2-[(8R)-2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 124781701
2-methyl-N-[2-[(8S)-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide
CID 124809236
2-cyclopropyl-N-[2-[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide
CID 133145149

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide (CID 131638837) is N-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide is O=C(NCCC1CCOC12CN(CC1CC1)C2)c1ccncc1.
What is the InChIKey of N-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is XHMARKBHLLUQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(15-3-7-19-8-4-15)20-9-5-16-6-10-23-18(16)12-21(13-18)11-14-1-2-14/h3-4,7-8,14,16H,1-2,5-6,9-13H2,(H,20,22).
What are the key properties of N-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide?
N-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 131638837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).