2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid

C24H17N5O3 — CID 167428980

IUPAC2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid
SMILESN#Cc1ccc(-c2ccc(C(N)C(=O)O)cn2)c(Oc2cnnc(-c3ccccc3)c2)c1
InChIInChI=1S/C24H17N5O3/c25-12-15-6-8-19(20-9-7-17(13-27-20)23(26)24(30)31)22(10-15)32-18-11-21(29-28-14-18)16-4-2-1-3-5-16/h1-11,13-14,23H,26H2,(H,30,31)
InChIKeyGDMAEEONXHTTKF-UHFFFAOYSA-N
MW423.43 g/mol
LogP3.95
Rot. Bonds6

About 2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid

2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid (PubChem CID 167428980) has the molecular formula C24H17N5O3 and a molecular weight of 423.43 g/mol. Its IUPAC name is 2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid
PubChem CID167428980
Molecular FormulaC24H17N5O3
Molecular Weight423.43 g/mol
Exact Mass423.13
IUPAC Name2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid
SMILESN#Cc1ccc(-c2ccc(C(N)C(=O)O)cn2)c(Oc2cnnc(-c3ccccc3)c2)c1
InChIInChI=1S/C24H17N5O3/c25-12-15-6-8-19(20-9-7-17(13-27-20)23(26)24(30)31)22(10-15)32-18-11-21(29-28-14-18)16-4-2-1-3-5-16/h1-11,13-14,23H,26H2,(H,30,31)
InChIKeyGDMAEEONXHTTKF-UHFFFAOYSA-N
XLogP3.95
TPSA135.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid
CID 86314474
4-[5-[(1S)-2-amino-1-hydroxyethyl]-2-pyridinyl]-3-[(2-methyl-6-pyrimidin-2-yl-4-pyridinyl)oxy]benzonitrile
CID 167429922
4-[5-(1-aminoethyl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile
CID 167429814
2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride
CID 24730356
(2S)-2-amino-3-[6-[4-cyano-2-(3-cyclopropyl-1-methylpyrazol-5-yl)oxyphenyl]-3-pyridinyl]propanoic acid
CID 167429921
4-[4-(2-aminoethyl)phenyl]-3-(6-cyclopentylpyridazin-4-yl)oxybenzonitrile
CID 167429626
4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-(6-phenylpyridazin-4-yl)sulfinylbenzonitrile
CID 167429505
4-[5-(2-amino-1-hydroxyethyl)-2-pyridinyl]-3-(3-cyclobutyl-1-methylpyrazol-5-yl)oxybenzonitrile
CID 167429049
4-[5-[(1S)-2-amino-1-fluoroethyl]-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile
CID 167429425
(4-cyano-2-methoxyphenyl) 2-phenoxyacetate
CID 2715586
3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid
CID 156612944
methyl 2-[6-[4-cyano-2-(3-cyclopropyl-1-methylpyrazol-5-yl)oxyphenyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 156891406

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid?
The IUPAC name of 2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid (CID 167428980) is 2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid?
The canonical SMILES for 2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid is N#Cc1ccc(-c2ccc(C(N)C(=O)O)cn2)c(Oc2cnnc(-c3ccccc3)c2)c1.
What is the InChIKey of 2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid?
The InChIKey is GDMAEEONXHTTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O3/c25-12-15-6-8-19(20-9-7-17(13-27-20)23(26)24(30)31)22(10-15)32-18-11-21(29-28-14-18)16-4-2-1-3-5-16/h1-11,13-14,23H,26H2,(H,30,31).
What are the key properties of 2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid?
2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid has a molecular weight of 423.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-[4-cyano-2-(6-phenylpyridazin-4-yl)oxyphenyl]-3-pyridinyl]acetic acid is sourced from PubChem (CID 167428980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).