2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide

C25H21N7O2 — CID 68989992

IUPAC2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide
SMILESNC(=O)CNc1cccc(Nc2nccc(Oc3ccc4c(ccn4-c4ccccn4)c3)n2)c1
InChIInChI=1S/C25H21N7O2/c26-22(33)16-29-18-4-3-5-19(15-18)30-25-28-12-9-24(31-25)34-20-7-8-21-17(14-20)10-13-32(21)23-6-1-2-11-27-23/h1-15,29H,16H2,(H2,26,33)(H,28,30,31)
InChIKeyPJLFXAQKPVIVCQ-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.25
Rot. Bonds8

About 2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide

2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide (PubChem CID 68989992) has the molecular formula C25H21N7O2 and a molecular weight of 451.49 g/mol. Its IUPAC name is 2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide.

Molecular Properties

Compound Name2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide
PubChem CID68989992
Molecular FormulaC25H21N7O2
Molecular Weight451.49 g/mol
Exact Mass451.18
IUPAC Name2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide
SMILESNC(=O)CNc1cccc(Nc2nccc(Oc3ccc4c(ccn4-c4ccccn4)c3)n2)c1
InChIInChI=1S/C25H21N7O2/c26-22(33)16-29-18-4-3-5-19(15-18)30-25-28-12-9-24(31-25)34-20-7-8-21-17(14-20)10-13-32(21)23-6-1-2-11-27-23/h1-15,29H,16H2,(H2,26,33)(H,28,30,31)
InChIKeyPJLFXAQKPVIVCQ-UHFFFAOYSA-N
XLogP4.25
TPSA119.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 59224752
N-(2,3-dihydro-1H-inden-5-yl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine
CID 70999478
N-(4-fluoro-3-methylphenyl)-4-[(1-pyridin-2-yl-2,3-dihydroindol-5-yl)oxy]pyrimidin-2-amine
CID 70999481
3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine
CID 75413994
6-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide
CID 122377977
methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate
CID 177163804
3-N-[4-(4-amino-3-ethenylphenoxy)pyrimidin-2-yl]benzene-1,3-diamine
CID 143429074
[4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine
CID 141271369
4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 143053924
N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 11313605
N-[4-[1-(2,3-dihydropyridin-2-yl)indol-5-yl]oxypyrimidin-2-yl]-3H-benzimidazol-5-amine
CID 143429088
6-[2-[3-[2-(dimethylamino)butanoylamino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 68551387

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide?
The IUPAC name of 2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide (CID 68989992) is 2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide.
What is the SMILES notation for 2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide?
The canonical SMILES for 2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide is NC(=O)CNc1cccc(Nc2nccc(Oc3ccc4c(ccn4-c4ccccn4)c3)n2)c1.
What is the InChIKey of 2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide?
The InChIKey is PJLFXAQKPVIVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O2/c26-22(33)16-29-18-4-3-5-19(15-18)30-25-28-12-9-24(31-25)34-20-7-8-21-17(14-20)10-13-32(21)23-6-1-2-11-27-23/h1-15,29H,16H2,(H2,26,33)(H,28,30,31).
What are the key properties of 2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide?
2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide has a molecular weight of 451.49 g/mol, XLogP of 4.25, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(1-pyridin-2-ylindol-5-yl)oxypyrimidin-2-yl]amino]anilino]acetamide is sourced from PubChem (CID 68989992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).