N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide

C17H21N3O — CID 106937429

IUPACN-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide
SMILESCCNc1ccc(C(=O)N(CC)c2ccncc2)cc1C
InChIInChI=1S/C17H21N3O/c1-4-19-16-7-6-14(12-13(16)3)17(21)20(5-2)15-8-10-18-11-9-15/h6-12,19H,4-5H2,1-3H3
InChIKeyXXWBKIUVRCDPOP-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.49
Rot. Bonds5

About N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide

N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide (PubChem CID 106937429) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide
PubChem CID106937429
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC NameN-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide
SMILESCCNc1ccc(C(=O)N(CC)c2ccncc2)cc1C
InChIInChI=1S/C17H21N3O/c1-4-19-16-7-6-14(12-13(16)3)17(21)20(5-2)15-8-10-18-11-9-15/h6-12,19H,4-5H2,1-3H3
InChIKeyXXWBKIUVRCDPOP-UHFFFAOYSA-N
XLogP3.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N,3-dimethyl-N-pyridin-4-ylbenzamide
CID 106937157
N-ethyl-3-methyl-4-(methylamino)-N-(4-methylphenyl)benzamide
CID 63213973
N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide
CID 103957153
N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide
CID 79386429
3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide
CID 104854747
2-chloro-N-ethyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 113236093
methyl 4-(ethylamino)-3-methylbenzoate
CID 43730612
N-cyclopropyl-4-(ethylamino)-3-methyl-N-propylbenzamide
CID 63210133
3-tert-butyl-1-ethyl-1-pyridin-4-ylurea
CID 106934815
N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide
CID 63213159
N-ethyl-2-(ethylamino)-5-methyl-N-phenylbenzamide
CID 62508978
N-[2-(dimethylamino)propyl]-4-(ethylamino)-3-methylbenzamide
CID 63213540

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide?
The IUPAC name of N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide (CID 106937429) is N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide is CCNc1ccc(C(=O)N(CC)c2ccncc2)cc1C.
What is the InChIKey of N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide?
The InChIKey is XXWBKIUVRCDPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-19-16-7-6-14(12-13(16)3)17(21)20(5-2)15-8-10-18-11-9-15/h6-12,19H,4-5H2,1-3H3.
What are the key properties of N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide?
N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide has a molecular weight of 283.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 106937429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).