N-[[(5S)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide

C15H21N3O3 — CID 118739035

IUPACN-[[(5S)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CC[C@@]2(CNCCOC2)O1)c1cccnc1
InChIInChI=1S/C15H21N3O3/c19-14(12-2-1-5-16-8-12)18-9-13-3-4-15(21-13)10-17-6-7-20-11-15/h1-2,5,8,13,17H,3-4,6-7,9-11H2,(H,18,19)/t13?,15-/m0/s1
InChIKeySGLRJNAUPFIAPZ-WUJWULDRSA-N
MW291.35 g/mol
LogP0.35
Rot. Bonds3

About N-[[(5S)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide

N-[[(5S)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 118739035) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[(5S)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(5S)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID118739035
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[[(5S)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CC[C@@]2(CNCCOC2)O1)c1cccnc1
InChIInChI=1S/C15H21N3O3/c19-14(12-2-1-5-16-8-12)18-9-13-3-4-15(21-13)10-17-6-7-20-11-15/h1-2,5,8,13,17H,3-4,6-7,9-11H2,(H,18,19)/t13?,15-/m0/s1
InChIKeySGLRJNAUPFIAPZ-WUJWULDRSA-N
XLogP0.35
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[(5S)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide (CID 118739035) is N-[[(5S)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(5S)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[(5S)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide is O=C(NCC1CC[C@@]2(CNCCOC2)O1)c1cccnc1.
What is the InChIKey of N-[[(5S)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is SGLRJNAUPFIAPZ-WUJWULDRSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(12-2-1-5-16-8-12)18-9-13-3-4-15(21-13)10-17-6-7-20-11-15/h1-2,5,8,13,17H,3-4,6-7,9-11H2,(H,18,19)/t13?,15-/m0/s1.
What are the key properties of N-[[(5S)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide?
N-[[(5S)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 118739035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).