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

C23H26N4OS — CID 45201861

IUPACN-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide
SMILESCC(NC1CCN(c2cccc(NC(=O)c3cccnc3)c2)CC1)c1cccs1
InChIInChI=1S/C23H26N4OS/c1-17(22-8-4-14-29-22)25-19-9-12-27(13-10-19)21-7-2-6-20(15-21)26-23(28)18-5-3-11-24-16-18/h2-8,11,14-17,19,25H,9-10,12-13H2,1H3,(H,26,28)
InChIKeyWPJHNUGCMSQEGZ-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.72
Rot. Bonds6

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

N-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 45201861) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is N-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID45201861
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC NameN-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide
SMILESCC(NC1CCN(c2cccc(NC(=O)c3cccnc3)c2)CC1)c1cccs1
InChIInChI=1S/C23H26N4OS/c1-17(22-8-4-14-29-22)25-19-9-12-27(13-10-19)21-7-2-6-20(15-21)26-23(28)18-5-3-11-24-16-18/h2-8,11,14-17,19,25H,9-10,12-13H2,1H3,(H,26,28)
InChIKeyWPJHNUGCMSQEGZ-UHFFFAOYSA-N
XLogP4.72
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 25294297
N-[4-[4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide
CID 26359267
1-pyridin-4-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43343794
N-[3-[4-[[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 125159053
N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 125179634
N-[3-[4-(2,2-diphenylethylamino)piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 26335398
N-[3-(cyclopropanecarbonyl)phenyl]pyridine-3-carboxamide
CID 82122759
N-[3-[4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 118757179
N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634621
1-pyridin-4-yl-N-(1-pyridin-3-ylethyl)piperidin-4-amine
CID 43343785
N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
CID 92665827
N-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
CID 45186286

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide (CID 45201861) is N-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide is CC(NC1CCN(c2cccc(NC(=O)c3cccnc3)c2)CC1)c1cccs1.
What is the InChIKey of N-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is WPJHNUGCMSQEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-17(22-8-4-14-29-22)25-19-9-12-27(13-10-19)21-7-2-6-20(15-21)26-23(28)18-5-3-11-24-16-18/h2-8,11,14-17,19,25H,9-10,12-13H2,1H3,(H,26,28).
What are the key properties of N-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide?
N-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 406.56 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 45201861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).