6-bromo-N-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]naphthalene-2-sulfinamide

C25H27BrN4O2S — CID 70335514

IUPAC6-bromo-N-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]naphthalene-2-sulfinamide
SMILESO=C(C1CCN(c2ccncc2)CC1)N1CCC(NS(=O)c2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C25H27BrN4O2S/c26-21-3-1-20-16-24(4-2-19(20)15-21)33(32)28-22-9-14-30(17-22)25(31)18-7-12-29(13-8-18)23-5-10-27-11-6-23/h1-6,10-11,15-16,18,22,28H,7-9,12-14,17H2
InChIKeyQRMWCVQKVFUHNA-UHFFFAOYSA-N
MW527.49 g/mol
LogP4.13
Rot. Bonds5

About 6-bromo-N-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]naphthalene-2-sulfinamide

6-bromo-N-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]naphthalene-2-sulfinamide (PubChem CID 70335514) has the molecular formula C25H27BrN4O2S and a molecular weight of 527.49 g/mol. Its IUPAC name is 6-bromo-N-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]naphthalene-2-sulfinamide.

Molecular Properties

Compound Name6-bromo-N-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]naphthalene-2-sulfinamide
PubChem CID70335514
Molecular FormulaC25H27BrN4O2S
Molecular Weight527.49 g/mol
Exact Mass526.10
IUPAC Name6-bromo-N-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]naphthalene-2-sulfinamide
SMILESO=C(C1CCN(c2ccncc2)CC1)N1CCC(NS(=O)c2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C25H27BrN4O2S/c26-21-3-1-20-16-24(4-2-19(20)15-21)33(32)28-22-9-14-30(17-22)25(31)18-7-12-29(13-8-18)23-5-10-27-11-6-23/h1-6,10-11,15-16,18,22,28H,7-9,12-14,17H2
InChIKeyQRMWCVQKVFUHNA-UHFFFAOYSA-N
XLogP4.13
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride
CID 22721764
4-(6-bromonaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperazine-2-carboxylic acid
CID 11114582
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
[4-(6-bromonaphthalen-2-yl)sulfonyl-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 57099771
piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride
CID 22721820
2-(dimethylamino)-N-[1-(1-pyridin-4-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 166400825
[4-[2-(4-bromophenyl)ethenylsulfonyl]piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 54251653
(E)-2-(5-bromothiophen-2-yl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 11455486
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 92882193
3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid
CID 21462701
5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 167762311
N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126453634

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]naphthalene-2-sulfinamide?
The IUPAC name of 6-bromo-N-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]naphthalene-2-sulfinamide (CID 70335514) is 6-bromo-N-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]naphthalene-2-sulfinamide.
What is the SMILES notation for 6-bromo-N-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]naphthalene-2-sulfinamide?
The canonical SMILES for 6-bromo-N-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]naphthalene-2-sulfinamide is O=C(C1CCN(c2ccncc2)CC1)N1CCC(NS(=O)c2ccc3cc(Br)ccc3c2)C1.
What is the InChIKey of 6-bromo-N-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]naphthalene-2-sulfinamide?
The InChIKey is QRMWCVQKVFUHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN4O2S/c26-21-3-1-20-16-24(4-2-19(20)15-21)33(32)28-22-9-14-30(17-22)25(31)18-7-12-29(13-8-18)23-5-10-27-11-6-23/h1-6,10-11,15-16,18,22,28H,7-9,12-14,17H2.
What are the key properties of 6-bromo-N-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]naphthalene-2-sulfinamide?
6-bromo-N-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]naphthalene-2-sulfinamide has a molecular weight of 527.49 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]naphthalene-2-sulfinamide is sourced from PubChem (CID 70335514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).