N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide

C21H24N4O — CID 51584924

IUPACN-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide
SMILESCc1ccc(C)c([C@H](NC(=O)CCCn2ccnc2)c2ccncc2)c1
InChIInChI=1S/C21H24N4O/c1-16-5-6-17(2)19(14-16)21(18-7-9-22-10-8-18)24-20(26)4-3-12-25-13-11-23-15-25/h5-11,13-15,21H,3-4,12H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyJTUNFTAHKJZSAD-OAQYLSRUSA-N
MW348.45 g/mol
LogP3.58
Rot. Bonds7

About N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide

N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide (PubChem CID 51584924) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide
PubChem CID51584924
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide
SMILESCc1ccc(C)c([C@H](NC(=O)CCCn2ccnc2)c2ccncc2)c1
InChIInChI=1S/C21H24N4O/c1-16-5-6-17(2)19(14-16)21(18-7-9-22-10-8-18)24-20(26)4-3-12-25-13-11-23-15-25/h5-11,13-15,21H,3-4,12H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyJTUNFTAHKJZSAD-OAQYLSRUSA-N
XLogP3.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide
CID 92556031
4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide
CID 118795733
4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide
CID 90648227
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96573738
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830
N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide
CID 17066764
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237
N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide
CID 175659813
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669271
N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118789936
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 125159123

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide?
The IUPAC name of N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide (CID 51584924) is N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide.
What is the SMILES notation for N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide?
The canonical SMILES for N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide is Cc1ccc(C)c([C@H](NC(=O)CCCn2ccnc2)c2ccncc2)c1.
What is the InChIKey of N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide?
The InChIKey is JTUNFTAHKJZSAD-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-5-6-17(2)19(14-16)21(18-7-9-22-10-8-18)24-20(26)4-3-12-25-13-11-23-15-25/h5-11,13-15,21H,3-4,12H2,1-2H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide?
N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide has a molecular weight of 348.45 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide is sourced from PubChem (CID 51584924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).