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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Related Compounds

2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 42691375
N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide
CID 92760411
8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 67393326
3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 3237026
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 46084319
2-phenoxy-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 35138227
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
CID 91967362
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 91624333
2-morpholin-4-yl-N-naphthalen-1-ylpyridine-3-carboxamide
CID 34000334

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).