N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide

C22H24N4OS — CID 25294297

IUPACN-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(N2CCC(NCc3cccs3)CC2)c1)c1cccnc1
InChIInChI=1S/C22H24N4OS/c27-22(17-4-2-10-23-15-17)25-19-5-1-6-20(14-19)26-11-8-18(9-12-26)24-16-21-7-3-13-28-21/h1-7,10,13-15,18,24H,8-9,11-12,16H2,(H,25,27)
InChIKeyNYCOUUBRINYJRV-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.15
Rot. Bonds6

About N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide

N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 25294297) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID25294297
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(N2CCC(NCc3cccs3)CC2)c1)c1cccnc1
InChIInChI=1S/C22H24N4OS/c27-22(17-4-2-10-23-15-17)25-19-5-1-6-20(14-19)26-11-8-18(9-12-26)24-16-21-7-3-13-28-21/h1-7,10,13-15,18,24H,8-9,11-12,16H2,(H,25,27)
InChIKeyNYCOUUBRINYJRV-UHFFFAOYSA-N
XLogP4.15
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 45201861
N-[3-[4-[[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 125159053
N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 42433832
N-[3-[4-(2,2-diphenylethylamino)piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 26335398
N-[3-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926355
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 110822080
N-[3-[4-(3-pyridin-4-ylpropylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 25294988
N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 42405845
N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926382
N-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide
CID 126465309
N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634621
N-[3-(cyclopropanecarbonyl)phenyl]pyridine-3-carboxamide
CID 82122759

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide (CID 25294297) is N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(N2CCC(NCc3cccs3)CC2)c1)c1cccnc1.
What is the InChIKey of N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is NYCOUUBRINYJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c27-22(17-4-2-10-23-15-17)25-19-5-1-6-20(14-19)26-11-8-18(9-12-26)24-16-21-7-3-13-28-21/h1-7,10,13-15,18,24H,8-9,11-12,16H2,(H,25,27).
What are the key properties of N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide?
N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 25294297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).