N-(1-methylpiperidin-4-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

C25H31N5O4S2 — CID 159582987

IUPACN-(1-methylpiperidin-4-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(S(N)(=O)=O)cc1Cc1nc(-c2ccc(C(=O)NC3CCN(C)CC3)nc2)cs1
InChIInChI=1S/C25H31N5O4S2/c1-16(2)34-23-7-5-20(36(26,32)33)12-18(23)13-24-29-22(15-35-24)17-4-6-21(27-14-17)25(31)28-19-8-10-30(3)11-9-19/h4-7,12,14-16,19H,8-11,13H2,1-3H3,(H,28,31)(H2,26,32,33)
InChIKeyMJGFZCOALTWEDI-UHFFFAOYSA-N
MW529.69 g/mol
LogP3.05
Rot. Bonds8

About N-(1-methylpiperidin-4-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

N-(1-methylpiperidin-4-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 159582987) has the molecular formula C25H31N5O4S2 and a molecular weight of 529.69 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
PubChem CID159582987
Molecular FormulaC25H31N5O4S2
Molecular Weight529.69 g/mol
Exact Mass529.18
IUPAC NameN-(1-methylpiperidin-4-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(S(N)(=O)=O)cc1Cc1nc(-c2ccc(C(=O)NC3CCN(C)CC3)nc2)cs1
InChIInChI=1S/C25H31N5O4S2/c1-16(2)34-23-7-5-20(36(26,32)33)12-18(23)13-24-29-22(15-35-24)17-4-6-21(27-14-17)25(31)28-19-8-10-30(3)11-9-19/h4-7,12,14-16,19H,8-11,13H2,1-3H3,(H,28,31)(H2,26,32,33)
InChIKeyMJGFZCOALTWEDI-UHFFFAOYSA-N
XLogP3.05
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.69
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 89656009
4-(2-cyclohexyloxy-5-methylsulfonylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 89656460
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide
CID 24794214
N-[(3S)-1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-3-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 44334035
N-[(3S)-1-[3-(4-acetylphenoxy)propyl]pyrrolidin-3-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 44334037
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]-5-[(2R)-2-(4-methylthiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide
CID 134815392
5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 71609222
4-[5-ethylsulfonyl-2-(1-methylpiperidin-4-yl)oxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 89655964
4-[5-ethylsulfonyl-2-(thian-4-yloxy)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 89656197
4-[2-(1-acetylpiperidin-4-yl)oxy-5-ethylsulfonylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 89656223
6-methyl-4-[5-methylsulfonyl-2-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 89656224
4-{5-(ethylsulfonyl)-2-[(4-oxocyclohexyl)oxy]phenyl}-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
CID 89656275

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (CID 159582987) is N-(1-methylpiperidin-4-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is CC(C)Oc1ccc(S(N)(=O)=O)cc1Cc1nc(-c2ccc(C(=O)NC3CCN(C)CC3)nc2)cs1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The InChIKey is MJGFZCOALTWEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4S2/c1-16(2)34-23-7-5-20(36(26,32)33)12-18(23)13-24-29-22(15-35-24)17-4-6-21(27-14-17)25(31)28-19-8-10-30(3)11-9-19/h4-7,12,14-16,19H,8-11,13H2,1-3H3,(H,28,31)(H2,26,32,33).
What are the key properties of N-(1-methylpiperidin-4-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
N-(1-methylpiperidin-4-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 529.69 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 159582987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).