N-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide

C23H29N5O4S — CID 21147801

IUPACN-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
SMILESCOCc1cccnc1CNC1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1
InChIInChI=1S/C23H29N5O4S/c1-32-15-16-4-3-9-24-22(16)14-25-18-7-10-28(11-8-18)23(29)21-13-17-12-19(27-33(2,30)31)5-6-20(17)26-21/h3-6,9,12-13,18,25-27H,7-8,10-11,14-15H2,1-2H3
InChIKeyYUFFEUFHPBOYJU-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.48
Rot. Bonds8

About N-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide

N-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide (PubChem CID 21147801) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
PubChem CID21147801
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC NameN-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
SMILESCOCc1cccnc1CNC1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1
InChIInChI=1S/C23H29N5O4S/c1-32-15-16-4-3-9-24-22(16)14-25-18-7-10-28(11-8-18)23(29)21-13-17-12-19(27-33(2,30)31)5-6-20(17)26-21/h3-6,9,12-13,18,25-27H,7-8,10-11,14-15H2,1-2H3
InChIKeyYUFFEUFHPBOYJU-UHFFFAOYSA-N
XLogP2.48
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide with MolForge

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Related Compounds

N-[2-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-1,1,1-trifluoromethanesulfonamide
CID 70018590
(5-methylsulfonyl-1H-indol-2-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 3378889
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
4-amino-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
CID 11970150
[4-(2-methoxyethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 71233752
methyl 2-[[1-[5-(methanesulfonamido)-1H-indole-3-carbonyl]piperidin-4-yl]-methylamino]pyridine-3-carboxylate
CID 67692497
(5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 10549335
[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
CID 95826190
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 93077007
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]propanamide
CID 94089260
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 92895156

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide?
The IUPAC name of N-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide (CID 21147801) is N-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide is COCc1cccnc1CNC1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.
What is the InChIKey of N-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide?
The InChIKey is YUFFEUFHPBOYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-32-15-16-4-3-9-24-22(16)14-25-18-7-10-28(11-8-18)23(29)21-13-17-12-19(27-33(2,30)31)5-6-20(17)26-21/h3-6,9,12-13,18,25-27H,7-8,10-11,14-15H2,1-2H3.
What are the key properties of N-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide?
N-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide has a molecular weight of 471.58 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[3-(methoxymethyl)-2-pyridinyl]methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide is sourced from PubChem (CID 21147801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).