N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide

C16H17ClN2O — CID 102979790

IUPACN-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cc(C)cnc2Cl)c(C)c1
InChIInChI=1S/C16H17ClN2O/c1-9-5-11(3)14(12(4)6-9)16(20)19-13-7-10(2)8-18-15(13)17/h5-8H,1-4H3,(H,19,20)
InChIKeyFZSTVWWCPBORPW-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.22
Rot. Bonds2

About N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide

N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide (PubChem CID 102979790) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide
PubChem CID102979790
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cc(C)cnc2Cl)c(C)c1
InChIInChI=1S/C16H17ClN2O/c1-9-5-11(3)14(12(4)6-9)16(20)19-13-7-10(2)8-18-15(13)17/h5-8H,1-4H3,(H,19,20)
InChIKeyFZSTVWWCPBORPW-UHFFFAOYSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 102979687
2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 102979594
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide
CID 102979859
N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979543
N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide
CID 102979678
N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide
CID 102979689
4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide
CID 114050962
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121
4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 114050634
N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide
CID 102979737
N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide
CID 6469057
2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide
CID 114050956

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide (CID 102979790) is N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2cc(C)cnc2Cl)c(C)c1.
What is the InChIKey of N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide?
The InChIKey is FZSTVWWCPBORPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-9-5-11(3)14(12(4)6-9)16(20)19-13-7-10(2)8-18-15(13)17/h5-8H,1-4H3,(H,19,20).
What are the key properties of N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide?
N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide has a molecular weight of 288.78 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 102979790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).