6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide

C23H27N3O2 — CID 172658373

IUPAC6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
SMILESCN1CCN(CCCNC(=O)c2ccc3cc(-c4ccoc4)ccc3c2)CC1
InChIInChI=1S/C23H27N3O2/c1-25-10-12-26(13-11-25)9-2-8-24-23(27)21-6-5-18-15-20(4-3-19(18)16-21)22-7-14-28-17-22/h3-7,14-17H,2,8-13H2,1H3,(H,24,27)
InChIKeyDJUUJFJGAZYASE-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.47
Rot. Bonds6

About 6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide

6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide (PubChem CID 172658373) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
PubChem CID172658373
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
SMILESCN1CCN(CCCNC(=O)c2ccc3cc(-c4ccoc4)ccc3c2)CC1
InChIInChI=1S/C23H27N3O2/c1-25-10-12-26(13-11-25)9-2-8-24-23(27)21-6-5-18-15-20(4-3-19(18)16-21)22-7-14-28-17-22/h3-7,14-17H,2,8-13H2,1H3,(H,24,27)
InChIKeyDJUUJFJGAZYASE-UHFFFAOYSA-N
XLogP3.47
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-9-oxoxanthene-2,7-dicarboxamide
CID 54338872
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 80965947
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 31413320
4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 10225174
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580
6-amino-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 70906155
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60668368
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182

Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide?
The IUPAC name of 6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide (CID 172658373) is 6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide is CN1CCN(CCCNC(=O)c2ccc3cc(-c4ccoc4)ccc3c2)CC1.
What is the InChIKey of 6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide?
The InChIKey is DJUUJFJGAZYASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-25-10-12-26(13-11-25)9-2-8-24-23(27)21-6-5-18-15-20(4-3-19(18)16-21)22-7-14-28-17-22/h3-7,14-17H,2,8-13H2,1H3,(H,24,27).
What are the key properties of 6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide?
6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]naphthalene-2-carboxamide is sourced from PubChem (CID 172658373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).