N-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C21H24N4O2 — CID 131646989

IUPACN-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCC(CNC(=O)C1=NOC2(CCN(c3ccccn3)C2)C1)c1ccccc1
InChIInChI=1S/C21H24N4O2/c1-16(17-7-3-2-4-8-17)14-23-20(26)18-13-21(27-24-18)10-12-25(15-21)19-9-5-6-11-22-19/h2-9,11,16H,10,12-15H2,1H3,(H,23,26)
InChIKeyJFAYIWNXFKYPAW-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.73
Rot. Bonds5

About N-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

N-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 131646989) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID131646989
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCC(CNC(=O)C1=NOC2(CCN(c3ccccn3)C2)C1)c1ccccc1
InChIInChI=1S/C21H24N4O2/c1-16(17-7-3-2-4-8-17)14-23-20(26)18-13-21(27-24-18)10-12-25(15-21)19-9-5-6-11-22-19/h2-9,11,16H,10,12-15H2,1H3,(H,23,26)
InChIKeyJFAYIWNXFKYPAW-UHFFFAOYSA-N
XLogP2.73
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-7-(furan-3-ylmethyl)-N-[(2R)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491469
(5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2S)-2-phenylpropyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491475
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
(5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491231
(5R)-7-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491230
(5R)-N-(furan-2-ylmethyl)-7-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491586
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 124978910
N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131639538
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 124988775
(5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491661
N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131649252
9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450950

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of N-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 131646989) is N-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for N-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for N-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is CC(CNC(=O)C1=NOC2(CCN(c3ccccn3)C2)C1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is JFAYIWNXFKYPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16(17-7-3-2-4-8-17)14-23-20(26)18-13-21(27-24-18)10-12-25(15-21)19-9-5-6-11-22-19/h2-9,11,16H,10,12-15H2,1H3,(H,23,26).
What are the key properties of N-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
N-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 131646989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).