2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide

C26H25N3O4 — CID 146929608

IUPAC2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
SMILESC=CC(=O)N1CCC(Cc2cnc(Oc3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2)C1
InChIInChI=1S/C26H25N3O4/c1-2-24(30)29-13-12-18(17-29)14-19-15-23(25(27)31)26(28-16-19)33-22-10-8-21(9-11-22)32-20-6-4-3-5-7-20/h2-11,15-16,18H,1,12-14,17H2,(H2,27,31)
InChIKeyAESXCDRGTFLXTD-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.34
Rot. Bonds8

About 2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide

2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 146929608) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID146929608
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
SMILESC=CC(=O)N1CCC(Cc2cnc(Oc3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2)C1
InChIInChI=1S/C26H25N3O4/c1-2-24(30)29-13-12-18(17-29)14-19-15-23(25(27)31)26(28-16-19)33-22-10-8-21(9-11-22)32-20-6-4-3-5-7-20/h2-11,15-16,18H,1,12-14,17H2,(H2,27,31)
InChIKeyAESXCDRGTFLXTD-UHFFFAOYSA-N
XLogP4.34
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 146879106
4-(4-phenoxyphenoxy)-2-(1-prop-2-enoylpyrrolidin-3-yl)pyrimidine-5-carboxamide
CID 118038190
5-[(1-but-2-enoylpyrrolidin-3-yl)amino]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 123730016
2-(4-phenoxyphenoxy)-5-[(3R)-1-propanoylpiperidin-3-yl]pyridine-3-carboxamide
CID 156613436
1-[3-[5-[amino(hydroxy)methyl]-4-(4-phenoxyphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 123985802
5-(5-but-2-enoyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 123449393
2-[4-(4-methylphenoxy)phenoxy]-6-(1-prop-2-enoylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 118038357
6-(3-methoxy-1-prop-2-enoylpiperidin-4-yl)-2-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 170639729
2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide
CID 118037796
1-[3-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 90646060
methyl 2-[4-(3-fluorophenoxy)phenoxy]-5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-3-carboxylate
CID 146756096
4-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 175800553

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide (CID 146929608) is 2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide is C=CC(=O)N1CCC(Cc2cnc(Oc3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2)C1.
What is the InChIKey of 2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is AESXCDRGTFLXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-2-24(30)29-13-12-18(17-29)14-19-15-23(25(27)31)26(28-16-19)33-22-10-8-21(9-11-22)32-20-6-4-3-5-7-20/h2-11,15-16,18H,1,12-14,17H2,(H2,27,31).
What are the key properties of 2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 146929608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).