N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide

C16H15N3O — CID 115273472

IUPACN-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(C#N)cn2)cc1C
InChIInChI=1S/C16H15N3O/c1-10-6-12(3)14(7-11(10)2)16(20)19-15-5-4-13(8-17)9-18-15/h4-7,9H,1-3H3,(H,18,19,20)
InChIKeyBTJBRAYEGDYCHB-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.13
Rot. Bonds2

About N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide

N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide (PubChem CID 115273472) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
PubChem CID115273472
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(C#N)cn2)cc1C
InChIInChI=1S/C16H15N3O/c1-10-6-12(3)14(7-11(10)2)16(20)19-15-5-4-13(8-17)9-18-15/h4-7,9H,1-3H3,(H,18,19,20)
InChIKeyBTJBRAYEGDYCHB-UHFFFAOYSA-N
XLogP3.13
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670305
N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830947
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide
CID 105063451
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
CID 115116632
N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79502806
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
CID 79153512
N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 64949685
3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide
CID 81485911
N-(5-cyano-2-pyridinyl)-3-(dimethylamino)benzamide
CID 62354745
N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide
CID 115273471

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide (CID 115273472) is N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2ccc(C#N)cn2)cc1C.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide?
The InChIKey is BTJBRAYEGDYCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-6-12(3)14(7-11(10)2)16(20)19-15-5-4-13(8-17)9-18-15/h4-7,9H,1-3H3,(H,18,19,20).
What are the key properties of N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide?
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide has a molecular weight of 265.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide is sourced from PubChem (CID 115273472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).