N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide

C18H25N3O2 — CID 131655434

IUPACN-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CCC2(CN(CC3CC3)C2)OC1)c1ccncc1
InChIInChI=1S/C18H25N3O2/c22-17(16-4-7-19-8-5-16)20-9-15-3-6-18(23-11-15)12-21(13-18)10-14-1-2-14/h4-5,7-8,14-15H,1-3,6,9-13H2,(H,20,22)
InChIKeyZZUNYRXBXJHWPG-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.70
Rot. Bonds5

About N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide

N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide (PubChem CID 131655434) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide
PubChem CID131655434
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CCC2(CN(CC3CC3)C2)OC1)c1ccncc1
InChIInChI=1S/C18H25N3O2/c22-17(16-4-7-19-8-5-16)20-9-15-3-6-18(23-11-15)12-21(13-18)10-14-1-2-14/h4-5,7-8,14-15H,1-3,6,9-13H2,(H,20,22)
InChIKeyZZUNYRXBXJHWPG-UHFFFAOYSA-N
XLogP1.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-[[(7S)-2-methyl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-3-carboxamide
CID 124813942
N-[2-[(8R)-2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide
CID 124783021
N-[2-[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide
CID 131638837
N-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide
CID 176515523
1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide
CID 131640403
N-[[2-[(2-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 133137321
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
N-[[2-(cyclobutanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 131692659
N-[[(5R,7R)-2-(cyclopropylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide
CID 97476193
N-[[(7R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124820874
N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 131661153
N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 131692562

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide (CID 131655434) is N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide is O=C(NCC1CCC2(CN(CC3CC3)C2)OC1)c1ccncc1.
What is the InChIKey of N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide?
The InChIKey is ZZUNYRXBXJHWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(16-4-7-19-8-5-16)20-9-15-3-6-18(23-11-15)12-21(13-18)10-14-1-2-14/h4-5,7-8,14-15H,1-3,6,9-13H2,(H,20,22).
What are the key properties of N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide?
N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 131655434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).