4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide

C23H19N5O2 — CID 143926904

IUPAC4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide
SMILESN#Cc1c(N)cc(Nc2ccc(C(N)=O)cc2)nc1Oc1ccc2c(c1)CCC=C2
InChIInChI=1S/C23H19N5O2/c24-13-19-20(25)12-21(27-17-8-5-15(6-9-17)22(26)29)28-23(19)30-18-10-7-14-3-1-2-4-16(14)11-18/h1,3,5-12H,2,4H2,(H2,26,29)(H3,25,27,28)
InChIKeyUDOVFSMMDLVZAT-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.13
Rot. Bonds5

About 4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide

4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide (PubChem CID 143926904) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide
PubChem CID143926904
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide
SMILESN#Cc1c(N)cc(Nc2ccc(C(N)=O)cc2)nc1Oc1ccc2c(c1)CCC=C2
InChIInChI=1S/C23H19N5O2/c24-13-19-20(25)12-21(27-17-8-5-15(6-9-17)22(26)29)28-23(19)30-18-10-7-14-3-1-2-4-16(14)11-18/h1,3,5-12H,2,4H2,(H2,26,29)(H3,25,27,28)
InChIKeyUDOVFSMMDLVZAT-UHFFFAOYSA-N
XLogP4.13
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide with MolForge

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Related Compounds

4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzohydrazide
CID 143926935
ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate
CID 70924888
4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile
CID 143926924
4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid
CID 70924877
4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide
CID 143926752
4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile
CID 70924709
4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile
CID 70924988
4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile
CID 143926739
4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile
CID 143926928
4-amino-6-[4-(1,3-oxazol-5-yl)anilino]-2-phenoxypyridine-3-carbonitrile
CID 70924698
4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile
CID 70924701
4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile
CID 70924718

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide?
The IUPAC name of 4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide (CID 143926904) is 4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide.
What is the SMILES notation for 4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide?
The canonical SMILES for 4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide is N#Cc1c(N)cc(Nc2ccc(C(N)=O)cc2)nc1Oc1ccc2c(c1)CCC=C2.
What is the InChIKey of 4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide?
The InChIKey is UDOVFSMMDLVZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c24-13-19-20(25)12-21(27-17-8-5-15(6-9-17)22(26)29)28-23(19)30-18-10-7-14-3-1-2-4-16(14)11-18/h1,3,5-12H,2,4H2,(H2,26,29)(H3,25,27,28).
What are the key properties of 4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide?
4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide has a molecular weight of 397.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide is sourced from PubChem (CID 143926904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).