1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide

C19H25N5O2 — CID 131640403

IUPAC1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCC3(CN(Cc4ccccn4)C3)OC2)cn1
InChIInChI=1S/C19H25N5O2/c1-23-10-16(9-22-23)18(25)21-8-15-5-6-19(26-12-15)13-24(14-19)11-17-4-2-3-7-20-17/h2-4,7,9-10,15H,5-6,8,11-14H2,1H3,(H,21,25)
InChIKeyUZSANVHOHBYUNF-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.23
Rot. Bonds5

About 1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide

1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide (PubChem CID 131640403) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide
PubChem CID131640403
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCC3(CN(Cc4ccccn4)C3)OC2)cn1
InChIInChI=1S/C19H25N5O2/c1-23-10-16(9-22-23)18(25)21-8-15-5-6-19(26-12-15)13-24(14-19)11-17-4-2-3-7-20-17/h2-4,7,9-10,15H,5-6,8,11-14H2,1H3,(H,21,25)
InChIKeyUZSANVHOHBYUNF-UHFFFAOYSA-N
XLogP1.23
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide (CID 131640403) is 1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCC2CCC3(CN(Cc4ccccn4)C3)OC2)cn1.
What is the InChIKey of 1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is UZSANVHOHBYUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-23-10-16(9-22-23)18(25)21-8-15-5-6-19(26-12-15)13-24(14-19)11-17-4-2-3-7-20-17/h2-4,7,9-10,15H,5-6,8,11-14H2,1H3,(H,21,25).
What are the key properties of 1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide?
1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 131640403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).