methyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate

C23H27N5O5S — CID 67692497

IUPACmethyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N(C)C1CCN(C(=O)c2c[nH]c3ccc(NS(C)(=O)=O)cc23)CC1
InChIInChI=1S/C23H27N5O5S/c1-27(21-17(23(30)33-2)5-4-10-24-21)16-8-11-28(12-9-16)22(29)19-14-25-20-7-6-15(13-18(19)20)26-34(3,31)32/h4-7,10,13-14,16,25-26H,8-9,11-12H2,1-3H3
InChIKeyNKNVUWDEJJEFHX-UHFFFAOYSA-N
MW485.57 g/mol
LogP2.46
Rot. Bonds6

About methyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate

methyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate (PubChem CID 67692497) has the molecular formula C23H27N5O5S and a molecular weight of 485.57 g/mol. Its IUPAC name is methyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate
PubChem CID67692497
Molecular FormulaC23H27N5O5S
Molecular Weight485.57 g/mol
Exact Mass485.17
IUPAC Namemethyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N(C)C1CCN(C(=O)c2c[nH]c3ccc(NS(C)(=O)=O)cc23)CC1
InChIInChI=1S/C23H27N5O5S/c1-27(21-17(23(30)33-2)5-4-10-24-21)16-8-11-28(12-9-16)22(29)19-14-25-20-7-6-15(13-18(19)20)26-34(3,31)32/h4-7,10,13-14,16,25-26H,8-9,11-12H2,1-3H3
InChIKeyNKNVUWDEJJEFHX-UHFFFAOYSA-N
XLogP2.46
TPSA124.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate with MolForge

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Related Compounds

N-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoacetyl]-1H-indol-5-yl]methanesulfonamide
CID 71457414
methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate
CID 10759534
[6-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indol-3-yl]-[4-[methyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 57257294
N-[3-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]acetamide
CID 57188923
4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid
CID 56871850
N-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
CID 21147801
1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
CID 53185539
(4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 110474946
N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide
CID 10295665
(5-fluoro-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57147611
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 91910292

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate (CID 67692497) is methyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate is COC(=O)c1cccnc1N(C)C1CCN(C(=O)c2c[nH]c3ccc(NS(C)(=O)=O)cc23)CC1.
What is the InChIKey of methyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate?
The InChIKey is NKNVUWDEJJEFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5S/c1-27(21-17(23(30)33-2)5-4-10-24-21)16-8-11-28(12-9-16)22(29)19-14-25-20-7-6-15(13-18(19)20)26-34(3,31)32/h4-7,10,13-14,16,25-26H,8-9,11-12H2,1-3H3.
What are the key properties of methyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate?
methyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate has a molecular weight of 485.57 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 67692497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).