N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide

C26H28N4O — CID 22115646

IUPACN-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide
SMILESCN1CCN(c2cccc3ccc(C(=O)NCCc4c[nH]c5ccccc45)cc23)CC1
InChIInChI=1S/C26H28N4O/c1-29-13-15-30(16-14-29)25-8-4-5-19-9-10-20(17-23(19)25)26(31)27-12-11-21-18-28-24-7-3-2-6-22(21)24/h2-10,17-18,28H,11-16H2,1H3,(H,27,31)
InChIKeyNONLWDSNWGPBKW-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.05
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide (PubChem CID 22115646) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide
PubChem CID22115646
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide
SMILESCN1CCN(c2cccc3ccc(C(=O)NCCc4c[nH]c5ccccc45)cc23)CC1
InChIInChI=1S/C26H28N4O/c1-29-13-15-30(16-14-29)25-8-4-5-19-9-10-20(17-23(19)25)26(31)27-12-11-21-18-28-24-7-3-2-6-22(21)24/h2-10,17-18,28H,11-16H2,1H3,(H,27,31)
InChIKeyNONLWDSNWGPBKW-UHFFFAOYSA-N
XLogP4.05
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide
CID 21187563
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104428
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116156
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 74230811
4-(1,1-dioxothiazinan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzamide
CID 7499091
N-[2-(1H-indol-3-yl)ethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349257
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 55457795
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766514

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide (CID 22115646) is N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide is CN1CCN(c2cccc3ccc(C(=O)NCCc4c[nH]c5ccccc45)cc23)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide?
The InChIKey is NONLWDSNWGPBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-29-13-15-30(16-14-29)25-8-4-5-19-9-10-20(17-23(19)25)26(31)27-12-11-21-18-28-24-7-3-2-6-22(21)24/h2-10,17-18,28H,11-16H2,1H3,(H,27,31).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 22115646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).