N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide

C20H33N5O — CID 86864363

IUPACN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide
SMILESCCN1CCN(c2ccc(CNC(=O)N3CCCC(C)CC3)cn2)CC1
InChIInChI=1S/C20H33N5O/c1-3-23-11-13-24(14-12-23)19-7-6-18(15-21-19)16-22-20(26)25-9-4-5-17(2)8-10-25/h6-7,15,17H,3-5,8-14,16H2,1-2H3,(H,22,26)
InChIKeyZTUYVUGCNMIVRI-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.56
Rot. Bonds4

About N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide (PubChem CID 86864363) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide
PubChem CID86864363
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide
SMILESCCN1CCN(c2ccc(CNC(=O)N3CCCC(C)CC3)cn2)CC1
InChIInChI=1S/C20H33N5O/c1-3-23-11-13-24(14-12-23)19-7-6-18(15-21-19)16-22-20(26)25-9-4-5-17(2)8-10-25/h6-7,15,17H,3-5,8-14,16H2,1-2H3,(H,22,26)
InChIKeyZTUYVUGCNMIVRI-UHFFFAOYSA-N
XLogP2.56
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide with MolForge

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Related Compounds

1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 55794785
3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 55744205
(3S)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylmorpholine-4-carboxamide
CID 94030908
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154644
4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 78853904
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
CID 146083518
N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053335
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430632
2-cyclopentyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 87036049
4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide
CID 111958709
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724330
3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 166188674

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide?
The IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide (CID 86864363) is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide.
What is the SMILES notation for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide?
The canonical SMILES for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide is CCN1CCN(c2ccc(CNC(=O)N3CCCC(C)CC3)cn2)CC1.
What is the InChIKey of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide?
The InChIKey is ZTUYVUGCNMIVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-3-23-11-13-24(14-12-23)19-7-6-18(15-21-19)16-22-20(26)25-9-4-5-17(2)8-10-25/h6-7,15,17H,3-5,8-14,16H2,1-2H3,(H,22,26).
What are the key properties of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide?
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide has a molecular weight of 359.52 g/mol, XLogP of 2.56, 4 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-methylazepane-1-carboxamide is sourced from PubChem (CID 86864363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).