N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide

C23H26N4O — CID 91675791

IUPACN-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
SMILESCCN1CCN(c2ccc(N)cc2NC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C23H26N4O/c1-2-26-12-14-27(15-13-26)22-11-10-18(24)16-21(22)25-23(28)20-9-5-7-17-6-3-4-8-19(17)20/h3-11,16H,2,12-15,24H2,1H3,(H,25,28)
InChIKeyQMGOSZZADGGMTM-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.82
Rot. Bonds4

About N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide

N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 91675791) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
PubChem CID91675791
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
SMILESCCN1CCN(c2ccc(N)cc2NC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C23H26N4O/c1-2-26-12-14-27(15-13-26)22-11-10-18(24)16-21(22)25-23(28)20-9-5-7-17-6-3-4-8-19(17)20/h3-11,16H,2,12-15,24H2,1H3,(H,25,28)
InChIKeyQMGOSZZADGGMTM-UHFFFAOYSA-N
XLogP3.82
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-pyrrolidin-1-ylphenyl)naphthalene-1-carboxamide
CID 91675506
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7342466
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 91675846
N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide
CID 11496999
N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide
CID 11584133
N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 3879741
N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide
CID 99147654
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 91675894
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 91675878
2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 39737929
N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 979888

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide (CID 91675791) is N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide is CCN1CCN(c2ccc(N)cc2NC(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is QMGOSZZADGGMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-2-26-12-14-27(15-13-26)22-11-10-18(24)16-21(22)25-23(28)20-9-5-7-17-6-3-4-8-19(17)20/h3-11,16H,2,12-15,24H2,1H3,(H,25,28).
What are the key properties of N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 91675791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).