2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C26H24N4O2S — CID 46084493

IUPAC2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cccnc1N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H24N4O2S/c31-25(28-18-20-8-5-17-33-20)23-11-4-12-27-24(23)29-13-15-30(16-14-29)26(32)22-10-3-7-19-6-1-2-9-21(19)22/h1-12,17H,13-16,18H2,(H,28,31)
InChIKeyNTQYVDFXAZBWFD-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.19
Rot. Bonds5

About 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 46084493) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID46084493
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC Name2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cccnc1N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H24N4O2S/c31-25(28-18-20-8-5-17-33-20)23-11-4-12-27-24(23)29-13-15-30(16-14-29)26(32)22-10-3-7-19-6-1-2-9-21(19)22/h1-12,17H,13-16,18H2,(H,28,31)
InChIKeyNTQYVDFXAZBWFD-UHFFFAOYSA-N
XLogP4.19
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 46084493) is 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccs1)c1cccnc1N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is NTQYVDFXAZBWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c31-25(28-18-20-8-5-17-33-20)23-11-4-12-27-24(23)29-13-15-30(16-14-29)26(32)22-10-3-7-19-6-1-2-9-21(19)22/h1-12,17H,13-16,18H2,(H,28,31).
What are the key properties of 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46084493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).