N,N-diethyl-6-[(3E)-3-(1-methoxyprop-2-enylidene)-2-methylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]pyridine-3-carboxamide

C24H31N3O3 — CID 143304496

IUPACN,N-diethyl-6-[(3E)-3-(1-methoxyprop-2-enylidene)-2-methylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]pyridine-3-carboxamide
SMILESC=C/C(OC)=C1\C(=C)OC2(C=C1c1ccc(C(=O)N(CC)CC)cn1)CCNCC2
InChIInChI=1S/C24H31N3O3/c1-6-21(29-5)22-17(4)30-24(11-13-25-14-12-24)15-19(22)20-10-9-18(16-26-20)23(28)27(7-2)8-3/h6,9-10,15-16,25H,1,4,7-8,11-14H2,2-3,5H3/b22-21-
InChIKeyGODYCCXIMYTNOW-DQRAZIAOSA-N
MW409.53 g/mol
LogP3.70
Rot. Bonds6

About N,N-diethyl-6-[(3E)-3-(1-methoxyprop-2-enylidene)-2-methylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]pyridine-3-carboxamide

N,N-diethyl-6-[(3E)-3-(1-methoxyprop-2-enylidene)-2-methylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]pyridine-3-carboxamide (PubChem CID 143304496) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N,N-diethyl-6-[(3E)-3-(1-methoxyprop-2-enylidene)-2-methylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-[(3E)-3-(1-methoxyprop-2-enylidene)-2-methylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]pyridine-3-carboxamide
PubChem CID143304496
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN,N-diethyl-6-[(3E)-3-(1-methoxyprop-2-enylidene)-2-methylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]pyridine-3-carboxamide
SMILESC=C/C(OC)=C1\C(=C)OC2(C=C1c1ccc(C(=O)N(CC)CC)cn1)CCNCC2
InChIInChI=1S/C24H31N3O3/c1-6-21(29-5)22-17(4)30-24(11-13-25-14-12-24)15-19(22)20-10-9-18(16-26-20)23(28)27(7-2)8-3/h6,9-10,15-16,25H,1,4,7-8,11-14H2,2-3,5H3/b22-21-
InChIKeyGODYCCXIMYTNOW-DQRAZIAOSA-N
XLogP3.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[3-(methylamino)propyl]-4-[(3Z)-2-methylidene-3-prop-2-enylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]benzamide
CID 143304208
N,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide
CID 143642723
N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
CID 11234697
4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide
CID 59674625
4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-sulfinic acid
CID 66696440
N,N-diethyl-3-hydroxy-4-[(3Z)-3-[(2Z)-penta-2,4-dienylidene]-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]benzamide
CID 143029802
N,N-diethyl-5-(8-methoxyspiro[chromene-2,4'-piperidine]-4-yl)pyridine-2-carboxamide
CID 59674662
4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide
CID 59674341
N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
CID 59674299
4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane
CID 143304509
(1E)-1-[2-methylidene-4-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-9-azaspiro[5.5]undec-4-en-3-ylidene]prop-2-en-1-ol
CID 143304602
N,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide
CID 59674324

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[(3E)-3-(1-methoxyprop-2-enylidene)-2-methylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-6-[(3E)-3-(1-methoxyprop-2-enylidene)-2-methylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]pyridine-3-carboxamide (CID 143304496) is N,N-diethyl-6-[(3E)-3-(1-methoxyprop-2-enylidene)-2-methylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-6-[(3E)-3-(1-methoxyprop-2-enylidene)-2-methylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-6-[(3E)-3-(1-methoxyprop-2-enylidene)-2-methylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]pyridine-3-carboxamide is C=C/C(OC)=C1\C(=C)OC2(C=C1c1ccc(C(=O)N(CC)CC)cn1)CCNCC2.
What is the InChIKey of N,N-diethyl-6-[(3E)-3-(1-methoxyprop-2-enylidene)-2-methylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]pyridine-3-carboxamide?
The InChIKey is GODYCCXIMYTNOW-DQRAZIAOSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-6-21(29-5)22-17(4)30-24(11-13-25-14-12-24)15-19(22)20-10-9-18(16-26-20)23(28)27(7-2)8-3/h6,9-10,15-16,25H,1,4,7-8,11-14H2,2-3,5H3/b22-21-.
What are the key properties of N,N-diethyl-6-[(3E)-3-(1-methoxyprop-2-enylidene)-2-methylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]pyridine-3-carboxamide?
N,N-diethyl-6-[(3E)-3-(1-methoxyprop-2-enylidene)-2-methylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]pyridine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[(3E)-3-(1-methoxyprop-2-enylidene)-2-methylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 143304496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).