N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide

C26H22N4O2 — CID 1108359

IUPACN-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
SMILESCc1cccnc1NC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ncccc1C
InChIInChI=1S/C26H22N4O2/c1-17-9-7-15-27-23(17)29-25(31)21-13-5-3-11-19(21)20-12-4-6-14-22(20)26(32)30-24-18(2)10-8-16-28-24/h3-16H,1-2H3,(H,27,29,31)(H,28,30,32)
InChIKeyYUXHWWXFICUVMV-UHFFFAOYSA-N
MW422.49 g/mol
LogP5.27
Rot. Bonds5

About N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide

N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide (PubChem CID 1108359) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
PubChem CID1108359
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
SMILESCc1cccnc1NC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ncccc1C
InChIInChI=1S/C26H22N4O2/c1-17-9-7-15-27-23(17)29-25(31)21-13-5-3-11-19(21)20-12-4-6-14-22(20)26(32)30-24-18(2)10-8-16-28-24/h3-16H,1-2H3,(H,27,29,31)(H,28,30,32)
InChIKeyYUXHWWXFICUVMV-UHFFFAOYSA-N
XLogP5.27
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
2-hydrazinyl-N-(3-methyl-2-pyridinyl)benzamide
CID 62236931
N-(3-hydroxy-2-pyridinyl)-2-methylbenzamide
CID 110462446
2-amino-3-chloro-N-(3-methyl-2-pyridinyl)benzamide
CID 115539994
2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide
CID 60817021
2,5-dimethyl-N-(3-methyl-2-pyridinyl)furan-3-carboxamide
CID 25344560
5-bromo-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 65307070
N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide
CID 25343168
2-N,6-N-bis(3-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4216500
6-methyl-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46642959
4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244313
2,4-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 836075

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide (CID 1108359) is N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide is Cc1cccnc1NC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ncccc1C.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide?
The InChIKey is YUXHWWXFICUVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-17-9-7-15-27-23(17)29-25(31)21-13-5-3-11-19(21)20-12-4-6-14-22(20)26(32)30-24-18(2)10-8-16-28-24/h3-16H,1-2H3,(H,27,29,31)(H,28,30,32).
What are the key properties of N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide?
N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide has a molecular weight of 422.49 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 1108359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).