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

C21H21N5O2S — CID 42691375

IUPAC2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cccnc1N1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C21H21N5O2S/c27-20(24-15-16-5-4-14-29-16)17-6-3-9-23-19(17)25-10-12-26(13-11-25)21(28)18-7-1-2-8-22-18/h1-9,14H,10-13,15H2,(H,24,27)
InChIKeyFMHFKHOTSLIKKG-UHFFFAOYSA-N
MW407.50 g/mol
LogP2.43
Rot. Bonds5

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

2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 42691375) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID42691375
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cccnc1N1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C21H21N5O2S/c27-20(24-15-16-5-4-14-29-16)17-6-3-9-23-19(17)25-10-12-26(13-11-25)21(28)18-7-1-2-8-22-18/h1-9,14H,10-13,15H2,(H,24,27)
InChIKeyFMHFKHOTSLIKKG-UHFFFAOYSA-N
XLogP2.43
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 46084493
N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide
CID 92760411
3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 3237026
1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110809228
2-phenoxy-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 35138227
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 46084319
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958
N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 39830660
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride
CID 142680752
2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1441150
2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 4999346

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 42691375) is 2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccs1)c1cccnc1N1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of 2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is FMHFKHOTSLIKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c27-20(24-15-16-5-4-14-29-16)17-6-3-9-23-19(17)25-10-12-26(13-11-25)21(28)18-7-1-2-8-22-18/h1-9,14H,10-13,15H2,(H,24,27).
What are the key properties of 2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42691375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).