4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane

C30H28N4O2 — CID 91087016

IUPAC4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane
SMILESCC.Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(-c3ccccc3C#N)cc2C)nc1
InChIInChI=1S/C28H22N4O2.C2H6/c1-18-11-14-26(30-17-18)32-28(34)24-9-5-6-10-25(24)31-27(33)22-13-12-20(15-19(22)2)23-8-4-3-7-21(23)16-29;1-2/h3-15,17H,1-2H3,(H,31,33)(H,30,32,34);1-2H3
InChIKeyOYMOXJNVSGDUIF-UHFFFAOYSA-N
MW476.58 g/mol
LogP6.77
Rot. Bonds5

About 4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane

4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane (PubChem CID 91087016) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane.

Molecular Properties

Compound Name4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane
PubChem CID91087016
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC Name4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane
SMILESCC.Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(-c3ccccc3C#N)cc2C)nc1
InChIInChI=1S/C28H22N4O2.C2H6/c1-18-11-14-26(30-17-18)32-28(34)24-9-5-6-10-25(24)31-27(33)22-13-12-20(15-19(22)2)23-8-4-3-7-21(23)16-29;1-2/h3-15,17H,1-2H3,(H,31,33)(H,30,32,34);1-2H3
InChIKeyOYMOXJNVSGDUIF-UHFFFAOYSA-N
XLogP6.77
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane?
The IUPAC name of 4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane (CID 91087016) is 4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane.
What is the SMILES notation for 4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane?
The canonical SMILES for 4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane is CC.Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(-c3ccccc3C#N)cc2C)nc1.
What is the InChIKey of 4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane?
The InChIKey is OYMOXJNVSGDUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O2.C2H6/c1-18-11-14-26(30-17-18)32-28(34)24-9-5-6-10-25(24)31-27(33)22-13-12-20(15-19(22)2)23-8-4-3-7-21(23)16-29;1-2/h3-15,17H,1-2H3,(H,31,33)(H,30,32,34);1-2H3.
What are the key properties of 4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane?
4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane has a molecular weight of 476.58 g/mol, XLogP of 6.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane is sourced from PubChem (CID 91087016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).