2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide

C23H22N6O2 — CID 69284689

IUPAC2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2nc(NCCc3ccccc3)c(C#N)cc2C(N)=O)c1
InChIInChI=1S/C23H22N6O2/c1-15(30)27-18-8-5-9-19(13-18)28-23-20(21(25)31)12-17(14-24)22(29-23)26-11-10-16-6-3-2-4-7-16/h2-9,12-13H,10-11H2,1H3,(H2,25,31)(H,27,30)(H2,26,28,29)
InChIKeyMGIFSWCFSNHTDH-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.41
Rot. Bonds8

About 2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide

2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide (PubChem CID 69284689) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide
PubChem CID69284689
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2nc(NCCc3ccccc3)c(C#N)cc2C(N)=O)c1
InChIInChI=1S/C23H22N6O2/c1-15(30)27-18-8-5-9-19(13-18)28-23-20(21(25)31)12-17(14-24)22(29-23)26-11-10-16-6-3-2-4-7-16/h2-9,12-13H,10-11H2,1H3,(H2,25,31)(H,27,30)(H2,26,28,29)
InChIKeyMGIFSWCFSNHTDH-UHFFFAOYSA-N
XLogP3.41
TPSA132.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-methoxypropanoylamino)anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 91053236
N-(3-acetamidophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158260
N-[3-(3-phenylpropylamino)phenyl]acetamide
CID 3022474
2-[3-[[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]amino]anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 68757613
2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259469
N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide
CID 7719451
N-[3-[[6-(benzylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112871603
4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213605
N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 56942640
4-(benzylamino)-2-[3-(carbamoylamino)anilino]pyrimidine-5-carboxamide
CID 58098627
N-[3-[(4-chloro-2-cyanoanilino)methyl]phenyl]acetamide
CID 133285849
N-[3-[[2-(benzylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112915733

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide (CID 69284689) is 2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide is CC(=O)Nc1cccc(Nc2nc(NCCc3ccccc3)c(C#N)cc2C(N)=O)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is MGIFSWCFSNHTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-15(30)27-18-8-5-9-19(13-18)28-23-20(21(25)31)12-17(14-24)22(29-23)26-11-10-16-6-3-2-4-7-16/h2-9,12-13H,10-11H2,1H3,(H2,25,31)(H,27,30)(H2,26,28,29).
What are the key properties of 2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide?
2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.41, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-5-cyano-6-(2-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 69284689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).