2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide

C26H26N4O4 — CID 118037796

IUPAC2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide
SMILESC=CC(=O)N(c1cnc(Oc2ccc(Oc3ccccc3)cc2)c(C(N)=O)c1)C1CCNCC1
InChIInChI=1S/C26H26N4O4/c1-2-24(31)30(18-12-14-28-15-13-18)19-16-23(25(27)32)26(29-17-19)34-22-10-8-21(9-11-22)33-20-6-4-3-5-7-20/h2-11,16-18,28H,1,12-15H2,(H2,27,32)
InChIKeyFGFUAPWAAJJSLU-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.04
Rot. Bonds8

About 2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide

2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide (PubChem CID 118037796) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide
PubChem CID118037796
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide
SMILESC=CC(=O)N(c1cnc(Oc2ccc(Oc3ccccc3)cc2)c(C(N)=O)c1)C1CCNCC1
InChIInChI=1S/C26H26N4O4/c1-2-24(31)30(18-12-14-28-15-13-18)19-16-23(25(27)32)26(29-17-19)34-22-10-8-21(9-11-22)33-20-6-4-3-5-7-20/h2-11,16-18,28H,1,12-15H2,(H2,27,32)
InChIKeyFGFUAPWAAJJSLU-UHFFFAOYSA-N
XLogP4.04
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 146929608
4-amino-2-[prop-2-enoyl(pyrrolidin-3-yl)amino]pyrimidine-5-carboxamide
CID 118038305
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
N-methyl-4-phenoxy-N-piperidin-4-ylpyridine-2-carboxamide
CID 119443292
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
5-fluoro-2-(3-iodophenoxy)pyridine-3-carboxamide
CID 141340163
2-(4-phenoxyphenoxy)-5-[(3R)-1-propanoylpiperidin-3-yl]pyridine-3-carboxamide
CID 156613436
5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 146879106
5-[1-(N-piperidin-4-ylanilino)ethenylamino]pyridine-2-carboxamide
CID 89185810
4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 119825107
[1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid
CID 118038505

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide?
The IUPAC name of 2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide (CID 118037796) is 2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide is C=CC(=O)N(c1cnc(Oc2ccc(Oc3ccccc3)cc2)c(C(N)=O)c1)C1CCNCC1.
What is the InChIKey of 2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide?
The InChIKey is FGFUAPWAAJJSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-2-24(31)30(18-12-14-28-15-13-18)19-16-23(25(27)32)26(29-17-19)34-22-10-8-21(9-11-22)33-20-6-4-3-5-7-20/h2-11,16-18,28H,1,12-15H2,(H2,27,32).
What are the key properties of 2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide?
2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenoxy)-5-[piperidin-4-yl(prop-2-enoyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 118037796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).