N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide

C26H31N3O4 — CID 46466736

IUPACN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)NCc3ccc(N4CC(C)OC(C)C4)nc3)o2)cc1
InChIInChI=1S/C26H31N3O4/c1-18-16-29(17-19(2)32-18)25-12-4-20(14-27-25)15-28-26(30)13-10-23-9-11-24(33-23)21-5-7-22(31-3)8-6-21/h4-9,11-12,14,18-19H,10,13,15-17H2,1-3H3,(H,28,30)
InChIKeyFARVNZGKKUHCPJ-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.21
Rot. Bonds8

About N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide (PubChem CID 46466736) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
PubChem CID46466736
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)NCc3ccc(N4CC(C)OC(C)C4)nc3)o2)cc1
InChIInChI=1S/C26H31N3O4/c1-18-16-29(17-19(2)32-18)25-12-4-20(14-27-25)15-28-26(30)13-10-23-9-11-24(33-23)21-5-7-22(31-3)8-6-21/h4-9,11-12,14,18-19H,10,13,15-17H2,1-3H3,(H,28,30)
InChIKeyFARVNZGKKUHCPJ-UHFFFAOYSA-N
XLogP4.21
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-phenylpropanamide
CID 55710399
3-(2,3-dimethoxyphenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide
CID 55710397
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 55794733
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 119846444
N-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 51947278
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55710020
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide
CID 55800755
N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 51947252
N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 100851233
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 55741973
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 46487138
3-[5-(4-methoxyphenyl)furan-2-yl]-N-propylpropanamide
CID 22587421

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?
The IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide (CID 46466736) is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?
The canonical SMILES for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide is COc1ccc(-c2ccc(CCC(=O)NCc3ccc(N4CC(C)OC(C)C4)nc3)o2)cc1.
What is the InChIKey of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?
The InChIKey is FARVNZGKKUHCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-18-16-29(17-19(2)32-18)25-12-4-20(14-27-25)15-28-26(30)13-10-23-9-11-24(33-23)21-5-7-22(31-3)8-6-21/h4-9,11-12,14,18-19H,10,13,15-17H2,1-3H3,(H,28,30).
What are the key properties of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide has a molecular weight of 449.55 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide is sourced from PubChem (CID 46466736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).