N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide

C24H28N6O2 — CID 53156979

IUPACN-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)nc1
InChIInChI=1S/C24H28N6O2/c1-18(2)23(31)27-20-8-9-22(25-14-20)30-16-21(26-17-30)24(32)29-12-10-28(11-13-29)15-19-6-4-3-5-7-19/h3-9,14,16-18H,10-13,15H2,1-2H3,(H,27,31)
InChIKeyWGSWCILLWQCTLZ-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.82
Rot. Bonds6

About N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide

N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 53156979) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide
PubChem CID53156979
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)nc1
InChIInChI=1S/C24H28N6O2/c1-18(2)23(31)27-20-8-9-22(25-14-20)30-16-21(26-17-30)24(32)29-12-10-28(11-13-29)15-19-6-4-3-5-7-19/h3-9,14,16-18H,10-13,15H2,1-2H3,(H,27,31)
InChIKeyWGSWCILLWQCTLZ-UHFFFAOYSA-N
XLogP2.82
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide
CID 53156980
1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide
CID 53156847
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 113013734
2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide
CID 84582047
N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide
CID 53156945
(2R)-N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 92987360
N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278450
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278104
(4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone
CID 109203469
4-[[5-(4-benzylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109261079
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide (CID 53156979) is N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)nc1.
What is the InChIKey of N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide?
The InChIKey is WGSWCILLWQCTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-18(2)23(31)27-20-8-9-22(25-14-20)30-16-21(26-17-30)24(32)29-12-10-28(11-13-29)15-19-6-4-3-5-7-19/h3-9,14,16-18H,10-13,15H2,1-2H3,(H,27,31).
What are the key properties of N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide?
N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 432.53 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 53156979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).