N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide

C22H29N3O — CID 119070496

IUPACN-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide
SMILESCN(C)CCN(C(=O)c1ccc(-c2ccncc2)cc1)C1CCCCC1
InChIInChI=1S/C22H29N3O/c1-24(2)16-17-25(21-6-4-3-5-7-21)22(26)20-10-8-18(9-11-20)19-12-14-23-15-13-19/h8-15,21H,3-7,16-17H2,1-2H3
InChIKeyXXDJWIVJXLMLAJ-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.09
Rot. Bonds6

About N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide

N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide (PubChem CID 119070496) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide
PubChem CID119070496
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide
SMILESCN(C)CCN(C(=O)c1ccc(-c2ccncc2)cc1)C1CCCCC1
InChIInChI=1S/C22H29N3O/c1-24(2)16-17-25(21-6-4-3-5-7-21)22(26)20-10-8-18(9-11-20)19-12-14-23-15-13-19/h8-15,21H,3-7,16-17H2,1-2H3
InChIKeyXXDJWIVJXLMLAJ-UHFFFAOYSA-N
XLogP4.09
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 56789513
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 60565522
N-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide
CID 119060730
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 54877373
4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
CID 80999167
methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate
CID 80709522
3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
CID 60954447
2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 103752787
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
6-[2-[[cyclopentyl-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
CID 86281167
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide
CID 82103913

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide (CID 119070496) is N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide is CN(C)CCN(C(=O)c1ccc(-c2ccncc2)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide?
The InChIKey is XXDJWIVJXLMLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-24(2)16-17-25(21-6-4-3-5-7-21)22(26)20-10-8-18(9-11-20)19-12-14-23-15-13-19/h8-15,21H,3-7,16-17H2,1-2H3.
What are the key properties of N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide?
N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide has a molecular weight of 351.49 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 119070496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).