3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C28H26N4O — CID 92870057

IUPAC3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCc1cccc(-c2cc(Nc3cccc(C(=O)N[C@@H]4CCCc5ccccc54)c3)ncn2)c1
InChIInChI=1S/C28H26N4O/c1-19-7-4-10-21(15-19)26-17-27(30-18-29-26)31-23-12-5-11-22(16-23)28(33)32-25-14-6-9-20-8-2-3-13-24(20)25/h2-5,7-8,10-13,15-18,25H,6,9,14H2,1H3,(H,32,33)(H,29,30,31)/t25-/m1/s1
InChIKeyMKAUNAGEKAGECM-RUZDIDTESA-N
MW434.54 g/mol
LogP6.00
Rot. Bonds5

About 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 92870057) has the molecular formula C28H26N4O and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID92870057
Molecular FormulaC28H26N4O
Molecular Weight434.54 g/mol
Exact Mass434.21
IUPAC Name3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCc1cccc(-c2cc(Nc3cccc(C(=O)N[C@@H]4CCCc5ccccc54)c3)ncn2)c1
InChIInChI=1S/C28H26N4O/c1-19-7-4-10-21(15-19)26-17-27(30-18-29-26)31-23-12-5-11-22(16-23)28(33)32-25-14-6-9-20-8-2-3-13-24(20)25/h2-5,7-8,10-13,15-18,25H,6,9,14H2,1H3,(H,32,33)(H,29,30,31)/t25-/m1/s1
InChIKeyMKAUNAGEKAGECM-RUZDIDTESA-N
XLogP6.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide with MolForge

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Related Compounds

4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46327284
3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92870081
3-[(2-phenylpyrimidin-4-yl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46331385
N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778643
N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327073
N-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327066
3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 75768255
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 92870064
3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide
CID 68651908
3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95089113
3-[3-(aminomethyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 134158405
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 46327059

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 92870057) is 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is Cc1cccc(-c2cc(Nc3cccc(C(=O)N[C@@H]4CCCc5ccccc54)c3)ncn2)c1.
What is the InChIKey of 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is MKAUNAGEKAGECM-RUZDIDTESA-N. The full InChI is InChI=1S/C28H26N4O/c1-19-7-4-10-21(15-19)26-17-27(30-18-29-26)31-23-12-5-11-22(16-23)28(33)32-25-14-6-9-20-8-2-3-13-24(20)25/h2-5,7-8,10-13,15-18,25H,6,9,14H2,1H3,(H,32,33)(H,29,30,31)/t25-/m1/s1.
What are the key properties of 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 6.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 92870057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).