4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide

C23H24N6O — CID 122296778

IUPAC4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
SMILESCCN(CC)c1cc(Nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)nc(C)n1
InChIInChI=1S/C23H24N6O/c1-4-29(5-2)22-14-21(25-16(3)26-22)27-19-10-12-20(13-11-19)28-23(30)18-8-6-17(15-24)7-9-18/h6-14H,4-5H2,1-3H3,(H,28,30)(H,25,26,27)
InChIKeyKVCQWMONMJYYOY-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.50
Rot. Bonds7

About 4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide

4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide (PubChem CID 122296778) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
PubChem CID122296778
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
SMILESCCN(CC)c1cc(Nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)nc(C)n1
InChIInChI=1S/C23H24N6O/c1-4-29(5-2)22-14-21(25-16(3)26-22)27-19-10-12-20(13-11-19)28-23(30)18-8-6-17(15-24)7-9-18/h6-14H,4-5H2,1-3H3,(H,28,30)(H,25,26,27)
InChIKeyKVCQWMONMJYYOY-UHFFFAOYSA-N
XLogP4.50
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide
CID 122296595
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3,5-dimethylbenzamide
CID 122296625
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-(trifluoromethyl)benzamide
CID 122296604
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 122296789
3-bromo-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 122296946
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-methoxybenzamide
CID 122296586
4-[[6-[benzyl(ethyl)amino]-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112873203
4-cyano-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122290401
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681
N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850845
N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide
CID 65389183
4-[[6-(4-cyanoanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193354

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide?
The IUPAC name of 4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide (CID 122296778) is 4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide is CCN(CC)c1cc(Nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)nc(C)n1.
What is the InChIKey of 4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide?
The InChIKey is KVCQWMONMJYYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-4-29(5-2)22-14-21(25-16(3)26-22)27-19-10-12-20(13-11-19)28-23(30)18-8-6-17(15-24)7-9-18/h6-14H,4-5H2,1-3H3,(H,28,30)(H,25,26,27).
What are the key properties of 4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide?
4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide has a molecular weight of 400.49 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide is sourced from PubChem (CID 122296778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).