2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide

C17H23N3O3S — CID 95562921

IUPAC2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide
SMILESCN(c1ncccc1C(=O)N[C@@H]1C=CS(=O)(=O)C1)C1CCCCC1
InChIInChI=1S/C17H23N3O3S/c1-20(14-6-3-2-4-7-14)16-15(8-5-10-18-16)17(21)19-13-9-11-24(22,23)12-13/h5,8-11,13-14H,2-4,6-7,12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyBICNHXMWUNWBIH-CYBMUJFWSA-N
MW349.46 g/mol
LogP1.89
Rot. Bonds4

About 2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide

2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide (PubChem CID 95562921) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide
PubChem CID95562921
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide
SMILESCN(c1ncccc1C(=O)N[C@@H]1C=CS(=O)(=O)C1)C1CCCCC1
InChIInChI=1S/C17H23N3O3S/c1-20(14-6-3-2-4-7-14)16-15(8-5-10-18-16)17(21)19-13-9-11-24(22,23)12-13/h5,8-11,13-14H,2-4,6-7,12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyBICNHXMWUNWBIH-CYBMUJFWSA-N
XLogP1.89
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-3-methylbenzamide
CID 81480398
4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
CID 177025160
6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide
CID 74243181
N-cyclopentyl-2-(diethylamino)pyridine-3-carboxamide
CID 5077246
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methanol
CID 61252621
1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol
CID 114055853
N-cyclohexyl-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 44761338
(E)-3-[2-[cyclohexyl(methyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 114056964
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid
CID 56871850
N-cyclohexyl-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285464

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide (CID 95562921) is 2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide is CN(c1ncccc1C(=O)N[C@@H]1C=CS(=O)(=O)C1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide?
The InChIKey is BICNHXMWUNWBIH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-20(14-6-3-2-4-7-14)16-15(8-5-10-18-16)17(21)19-13-9-11-24(22,23)12-13/h5,8-11,13-14H,2-4,6-7,12H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide?
2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95562921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).