N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide

C23H26N6O2 — CID 53156945

IUPACN-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(c4cccc(C)c4)CC3)c2)nc1
InChIInChI=1S/C23H26N6O2/c1-3-22(30)26-18-7-8-21(24-14-18)29-15-20(25-16-29)23(31)28-11-9-27(10-12-28)19-6-4-5-17(2)13-19/h4-8,13-16H,3,9-12H2,1-2H3,(H,26,30)
InChIKeyIVAPCFOGWMJSOZ-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.89
Rot. Bonds5

About N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide

N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide (PubChem CID 53156945) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide
PubChem CID53156945
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(c4cccc(C)c4)CC3)c2)nc1
InChIInChI=1S/C23H26N6O2/c1-3-22(30)26-18-7-8-21(24-14-18)29-15-20(25-16-29)23(31)28-11-9-27(10-12-28)19-6-4-5-17(2)13-19/h4-8,13-16H,3,9-12H2,1-2H3,(H,26,30)
InChIKeyIVAPCFOGWMJSOZ-UHFFFAOYSA-N
XLogP2.89
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 39181745
N-[6-[4-[4-(2-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 53157057
3-methyl-N-[6-[4-(morpholine-4-carbonyl)imidazol-1-yl]-3-pyridinyl]butanamide
CID 53156987
N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029350
N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 53156915
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide
CID 113043638
N-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide
CID 53156980
[5-(3-methoxypropylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109184425
N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide
CID 53156979
[5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109194252
N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109098913

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide?
The IUPAC name of N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide (CID 53156945) is N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide?
The canonical SMILES for N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(c4cccc(C)c4)CC3)c2)nc1.
What is the InChIKey of N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide?
The InChIKey is IVAPCFOGWMJSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-3-22(30)26-18-7-8-21(24-14-18)29-15-20(25-16-29)23(31)28-11-9-27(10-12-28)19-6-4-5-17(2)13-19/h4-8,13-16H,3,9-12H2,1-2H3,(H,26,30).
What are the key properties of N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide?
N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide has a molecular weight of 418.50 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 53156945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).