N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide

C22H30N4O — CID 55744551

IUPACN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3ccc(C(C)C)cc3)cn2)CC1
InChIInChI=1S/C22H30N4O/c1-4-25-11-13-26(14-12-25)21-10-5-18(15-23-21)16-24-22(27)20-8-6-19(7-9-20)17(2)3/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,24,27)
InChIKeyVXHXQOUQPRJTLZ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.28
Rot. Bonds6

About N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide (PubChem CID 55744551) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide
PubChem CID55744551
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3ccc(C(C)C)cc3)cn2)CC1
InChIInChI=1S/C22H30N4O/c1-4-25-11-13-26(14-12-25)21-10-5-18(15-23-21)16-24-22(27)20-8-6-19(7-9-20)17(2)3/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,24,27)
InChIKeyVXHXQOUQPRJTLZ-UHFFFAOYSA-N
XLogP3.28
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55744150
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
CID 11638950
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55744182
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
CID 146083518
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55744485
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55965063
4-butoxy-3-chloro-5-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55744394
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
1-(4-chlorophenyl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78879226
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
CID 31007703

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide (CID 55744551) is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide is CCN1CCN(c2ccc(CNC(=O)c3ccc(C(C)C)cc3)cn2)CC1.
What is the InChIKey of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide?
The InChIKey is VXHXQOUQPRJTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-4-25-11-13-26(14-12-25)21-10-5-18(15-23-21)16-24-22(27)20-8-6-19(7-9-20)17(2)3/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,24,27).
What are the key properties of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide?
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide has a molecular weight of 366.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 55744551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).