4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile

C23H24N6O — CID 143926928

IUPAC4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(Nc2ccc(CN3CCNCC3)cc2)nc1Oc1ccccc1
InChIInChI=1S/C23H24N6O/c24-15-20-21(25)14-22(28-23(20)30-19-4-2-1-3-5-19)27-18-8-6-17(7-9-18)16-29-12-10-26-11-13-29/h1-9,14,26H,10-13,16H2,(H3,25,27,28)
InChIKeyDBIBQLAUQMUWBN-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.48
Rot. Bonds6

About 4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile

4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile (PubChem CID 143926928) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile
PubChem CID143926928
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(Nc2ccc(CN3CCNCC3)cc2)nc1Oc1ccccc1
InChIInChI=1S/C23H24N6O/c24-15-20-21(25)14-22(28-23(20)30-19-4-2-1-3-5-19)27-18-8-6-17(7-9-18)16-29-12-10-26-11-13-29/h1-9,14,26H,10-13,16H2,(H3,25,27,28)
InChIKeyDBIBQLAUQMUWBN-UHFFFAOYSA-N
XLogP3.48
TPSA99.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzohydrazide
CID 143926935
4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile
CID 143926924
ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate
CID 70924888
4-amino-6-[4-(1,3-oxazol-5-yl)anilino]-2-phenoxypyridine-3-carbonitrile
CID 70924698
4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile
CID 143926739
4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid
CID 70924877
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carbonitrile
CID 122519334
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-(piperazin-1-ylmethyl)anilino]pyrimidine-5-carbonitrile
CID 122520944
4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile
CID 70924701
azane;1-benzylpiperazine
CID 174866973
2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline
CID 174907104
4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile
CID 70924709

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile?
The IUPAC name of 4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile (CID 143926928) is 4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile is N#Cc1c(N)cc(Nc2ccc(CN3CCNCC3)cc2)nc1Oc1ccccc1.
What is the InChIKey of 4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile?
The InChIKey is DBIBQLAUQMUWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c24-15-20-21(25)14-22(28-23(20)30-19-4-2-1-3-5-19)27-18-8-6-17(7-9-18)16-29-12-10-26-11-13-29/h1-9,14,26H,10-13,16H2,(H3,25,27,28).
What are the key properties of 4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile?
4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile has a molecular weight of 400.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile is sourced from PubChem (CID 143926928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).