4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide

C21H25N5O — CID 167959324

IUPAC4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C21H25N5O/c1-4-25(14-17-5-8-19(9-6-17)21(27)24(2)3)15-18-7-10-20(23-13-18)26-12-11-22-16-26/h5-13,16H,4,14-15H2,1-3H3
InChIKeyUSKAFIYCGXADHP-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.99
Rot. Bonds7

About 4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide

4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 167959324) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID167959324
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C21H25N5O/c1-4-25(14-17-5-8-19(9-6-17)21(27)24(2)3)15-18-7-10-20(23-13-18)26-12-11-22-16-26/h5-13,16H,4,14-15H2,1-3H3
InChIKeyUSKAFIYCGXADHP-UHFFFAOYSA-N
XLogP2.99
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride
CID 119584534
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 110886459
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858
N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine
CID 142231842
3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 61006797
(2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide
CID 95278008
ethyl 6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]pyridine-3-carboxylate
CID 31537374
5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride
CID 50988462
4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 110963877
N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952867

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide (CID 167959324) is 4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(-n2ccnc2)nc1.
What is the InChIKey of 4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is USKAFIYCGXADHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-4-25(14-17-5-8-19(9-6-17)21(27)24(2)3)15-18-7-10-20(23-13-18)26-12-11-22-16-26/h5-13,16H,4,14-15H2,1-3H3.
What are the key properties of 4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide?
4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 363.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 167959324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).