N-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide

C21H26N4O3S — CID 50842591

IUPACN-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccnc1N1CCC(C(=O)NCC2CCCO2)CC1)c1ccsc1
InChIInChI=1S/C21H26N4O3S/c26-20(23-13-17-3-2-11-28-17)15-5-9-25(10-6-15)19-18(4-1-8-22-19)24-21(27)16-7-12-29-14-16/h1,4,7-8,12,14-15,17H,2-3,5-6,9-11,13H2,(H,23,26)(H,24,27)
InChIKeyLZSOBVTWFAGEGG-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.91
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide

N-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 50842591) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID50842591
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccnc1N1CCC(C(=O)NCC2CCCO2)CC1)c1ccsc1
InChIInChI=1S/C21H26N4O3S/c26-20(23-13-17-3-2-11-28-17)15-5-9-25(10-6-15)19-18(4-1-8-22-19)24-21(27)16-7-12-29-14-16/h1,4,7-8,12,14-15,17H,2-3,5-6,9-11,13H2,(H,23,26)(H,24,27)
InChIKeyLZSOBVTWFAGEGG-UHFFFAOYSA-N
XLogP2.91
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 95092282
N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
CID 99872802
N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 1071352
1-[[(4S)-1,3-dioxan-4-yl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 97076924
N-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]thiophene-3-carboxamide
CID 47790118
N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 54302049
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922681
N-(oxolan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 83278502
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27260860
N-[4-oxo-4-(oxolan-2-ylmethylamino)butyl]thiophene-3-carboxamide
CID 18154527

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide (CID 50842591) is N-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide is O=C(Nc1cccnc1N1CCC(C(=O)NCC2CCCO2)CC1)c1ccsc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is LZSOBVTWFAGEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c26-20(23-13-17-3-2-11-28-17)15-5-9-25(10-6-15)19-18(4-1-8-22-19)24-21(27)16-7-12-29-14-16/h1,4,7-8,12,14-15,17H,2-3,5-6,9-11,13H2,(H,23,26)(H,24,27).
What are the key properties of N-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide?
N-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 50842591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).