5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide

C18H28N4OS — CID 135117444

IUPAC5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(NC2CCN(C3CCSCC3)CC2)nc1C
InChIInChI=1S/C18H28N4OS/c1-12-11-16(17(19)23)18(20-13(12)2)21-14-3-7-22(8-4-14)15-5-9-24-10-6-15/h11,14-15H,3-10H2,1-2H3,(H2,19,23)(H,20,21)
InChIKeyPIBBILFECIJHSL-UHFFFAOYSA-N
MW348.52 g/mol
LogP2.57
Rot. Bonds4

About 5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide

5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 135117444) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is 5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide
PubChem CID135117444
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(NC2CCN(C3CCSCC3)CC2)nc1C
InChIInChI=1S/C18H28N4OS/c1-12-11-16(17(19)23)18(20-13(12)2)21-14-3-7-22(8-4-14)15-5-9-24-10-6-15/h11,14-15H,3-10H2,1-2H3,(H2,19,23)(H,20,21)
InChIKeyPIBBILFECIJHSL-UHFFFAOYSA-N
XLogP2.57
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 135104841
5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide
CID 141190389
[4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid
CID 67217967
2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide
CID 74238215
methyl 6-[(1-cyclopropylpiperidin-4-yl)amino]-2-methylpyridine-3-carboxylate
CID 133433125
5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide
CID 135088257
5-amino-2-(thiolan-3-ylamino)pyridine-3-carboxamide
CID 103062322
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide
CID 119068232
1,3-dimethyl-2,6-dioxo-N-[1-(thian-4-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 72837326
6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide
CID 167761700
2-[(3R)-3-aminopiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 125436762
4-[(1-cyclopentylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 154797079

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide (CID 135117444) is 5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide is Cc1cc(C(N)=O)c(NC2CCN(C3CCSCC3)CC2)nc1C.
What is the InChIKey of 5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is PIBBILFECIJHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-12-11-16(17(19)23)18(20-13(12)2)21-14-3-7-22(8-4-14)15-5-9-24-10-6-15/h11,14-15H,3-10H2,1-2H3,(H2,19,23)(H,20,21).
What are the key properties of 5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide?
5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 348.52 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 135117444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).